data_3gat_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 3gat _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.246 0.546 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 -11.44 60.71 Favored Glycine 0 N--CA 1.495 2.588 0 O-C-N 121.284 -0.885 . . . . 0.0 111.636 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -63.25 119.14 9.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.5 -1.588 . . . . 0.0 109.485 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.7 141.74 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 11' ' ' GLN . 31.8 t -62.94 115.26 4.23 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.646 -1.284 . . . . 0.0 110.452 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -60.3 -39.98 88.88 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.74 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -74.99 -39.11 61.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.893 -1.13 . . . . 0.0 111.808 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 p -130.1 14.03 5.7 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.175 1.352 . . . . 0.0 112.738 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.4 mt-30 57.21 1.16 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.583 -1.323 . . . . 0.0 114.0 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -61.2 156.86 17.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 119.897 -1.752 . . . . 0.0 108.557 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -133.51 10.01 4.02 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.876 -1.14 . . . . 0.0 108.825 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 30.2 p -112.47 47.52 1.07 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 p -75.76 149.03 38.08 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.082 -1.011 . . . . 0.0 111.285 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -75.68 -39.39 57.62 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -141.02 132.52 26.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -80.98 126.27 31.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.997 -1.064 . . . . 0.0 109.657 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' NH1' HD21 ' A' ' 29' ' ' ASN . 7.7 mmt-85 -110.49 177.9 4.54 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 18.0 tpt180 -130.56 141.93 50.47 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.9 160.08 38.85 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 120.986 -1.071 . . . . 0.0 109.475 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.51 -17.26 16.32 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.43 1.42 . . . . 0.0 112.479 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ttt -93.85 -12.02 29.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 109.88 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 94.52 21.81 25.78 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -99.01 115.05 65.99 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 0.0 108.822 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -49.97 139.08 34.31 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 CA-C-N 120.229 1.118 . . . . 0.0 112.544 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -140.77 159.64 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.3 -0.875 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.06 155.06 24.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.198 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.49 HD21 ' NH1' ' A' ' 19' ' ' ARG . 24.2 t-20 -49.43 -31.34 9.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.307 -0.87 . . . . 0.0 110.636 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.62 -53.81 12.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.749 -1.219 . . . . 0.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -58.87 -41.74 87.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.825 -1.172 . . . . 0.0 110.086 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.85 -49.52 70.32 Favored Glycine 0 C--N 1.292 -1.913 0 C-N-CA 118.927 -1.606 . . . . 0.0 110.185 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.87 -49.71 49.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 110.438 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.0 -45.83 91.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.921 -1.112 . . . . 0.0 109.466 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLN . 34.1 t80 -60.93 -47.59 85.7 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.563 0.697 . . . . 0.0 110.083 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -60.0 -40.37 88.95 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.271 -1.518 . . . . 0.0 109.919 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.5 -39.98 67.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 111.605 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -113.34 -12.46 13.02 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.848 -1.157 . . . . 0.0 111.801 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' TYR . 33.4 tt0 43.29 57.02 3.99 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.44 -1.413 . . . . 0.0 111.429 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.12 154.82 8.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.15 120.46 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.787 -1.195 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 31.4 ttp180 -89.92 139.52 27.54 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.802 -0.561 . . . . 0.0 109.722 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -60.05 152.45 65.13 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 120.619 0.879 . . . . 0.0 112.337 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.22 -1.16 7.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.685 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -60.97 -14.88 25.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.746 -1.222 . . . . 0.0 109.63 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.535 ' SD ' ' NH1' ' A' ' 42' ' ' ARG . 20.4 ttt -98.22 -0.57 43.87 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.134 -0.979 . . . . 0.0 109.36 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -77.01 136.91 38.72 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.66 -0.65 . . . . 0.0 109.358 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -123.44 133.27 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -46.27 -83.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.038 -1.039 . . . . 0.0 110.012 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.92 178.74 28.8 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -92.19 140.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.4 -1.059 . . . . 0.0 110.234 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -78.48 149.72 33.13 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 159.96 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 0.0 109.359 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -152.36 169.84 21.56 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -54.79 138.91 41.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' A' ' 56' ' ' ARG . 39.4 mtt-85 -62.17 130.46 45.53 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.286 -0.884 . . . . 0.0 111.884 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' VAL . 5.6 ttmt -52.29 148.99 5.88 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' LYS . 14.9 p . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.484 -0.76 . . . . 0.0 109.453 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.216 0.531 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -2.19 80.74 Favored Glycine 0 N--CA 1.499 2.892 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 m -70.61 114.46 8.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.784 -1.421 . . . . 0.0 110.861 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.37 140.97 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -58.61 119.49 7.15 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.883 -1.136 . . . . 0.0 111.416 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -60.05 -39.85 87.43 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.369 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.411 HD21 ' HB3' ' A' ' 31' ' ' CYS . 98.6 m-20 -75.63 -38.87 58.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.756 -1.215 . . . . 0.0 111.997 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.7 p -130.97 13.61 5.24 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 120.368 1.44 . . . . 0.0 112.877 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 7' ' ' CYS . 26.9 mm100 57.16 4.56 0.2 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.281 -1.512 . . . . 0.0 113.849 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -67.24 158.0 32.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 119.98 -1.7 . . . . 0.0 108.656 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 m -130.43 6.43 4.84 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.194 -0.941 . . . . 0.0 109.432 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.3 p -106.05 48.22 0.85 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.247 -0.908 . . . . 0.0 109.256 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -77.55 147.69 35.61 Favored 'General case' 0 C--N 1.284 -2.266 0 O-C-N 121.161 -0.962 . . . . 0.0 111.836 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.3 p -77.63 -39.04 46.61 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -143.95 132.64 22.42 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -80.74 128.08 33.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.862 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -110.72 176.24 5.11 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.575 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HG3' ' NH1' ' A' ' 20' ' ' ARG . 17.4 mmm-85 -131.0 139.71 50.03 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 160.09 34.72 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.336 -0.852 . . . . 0.0 109.449 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.57 -16.08 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.382 1.388 . . . . 0.0 112.295 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.8 mtm -95.2 -11.4 28.13 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.035 -1.041 . . . . 0.0 109.8 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.54 36.36 6.2 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -109.86 115.99 54.53 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 121.282 -1.128 . . . . 0.0 110.439 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -51.95 128.72 27.81 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.065 1.059 . . . . 0.0 111.989 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.68 159.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.631 -0.668 . . . . 0.0 109.84 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.87 160.98 22.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -0.932 . . . . 0.0 109.861 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -49.76 -34.65 19.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.686 -0.634 . . . . 0.0 111.955 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.31 -49.97 15.53 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.534 -1.354 . . . . 0.0 111.717 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' HD21 ' A' ' 9' ' ' ASN . 69.6 m -59.81 -42.31 93.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.493 -1.379 . . . . 0.0 110.053 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.24 77.1 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.83 -47.02 76.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.367 -1.078 . . . . 0.0 109.159 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.96 -47.27 86.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 108.856 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' GLN . 12.8 t80 -63.56 -48.9 75.57 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-O 121.387 0.613 . . . . 0.0 110.845 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.13 -41.22 92.19 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.177 -1.577 . . . . 0.0 110.745 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.39 -41.46 84.93 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.974 -1.079 . . . . 0.0 111.281 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' GLN . 87.5 m-70 -123.31 6.95 9.05 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.869 -1.144 . . . . 0.0 112.559 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.2 tt0 35.92 59.19 0.9 Allowed 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.697 -1.252 . . . . 0.0 112.305 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.57 151.75 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -86.56 129.73 34.76 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.045 -1.034 . . . . 0.0 109.845 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -94.39 129.17 37.7 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.143 -0.973 . . . . 0.0 109.238 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -47.37 151.79 2.7 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 CA-C-N 120.071 1.061 . . . . 0.0 112.85 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.04 -9.94 3.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.619 -0.676 . . . . 0.0 110.746 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.6 p -57.02 -13.11 2.46 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 120.7 -1.25 . . . . 0.0 109.248 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 ttt -96.63 -4.41 41.07 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.11 -0.994 . . . . 0.0 109.999 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -78.06 133.73 37.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.685 -0.635 . . . . 0.0 111.302 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 50' ' ' GLY . 31.4 mtmm -115.98 128.6 55.87 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.44 5.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.873 -1.142 . . . . 0.0 111.221 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -150.34 168.73 30.29 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -90.02 137.8 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.269 . . . . 0.0 109.76 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.69 150.79 27.85 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.505 -0.747 . . . . 0.0 109.489 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.688 ' HG1' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -137.84 160.4 39.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 110.346 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.688 ' N ' ' HG1' ' A' ' 53' ' ' THR . 13.9 tpt180 -149.74 156.25 41.53 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.51 139.98 11.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.044 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -57.49 123.37 15.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 109.232 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -67.6 169.53 9.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.318 -0.864 . . . . 0.0 110.18 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.301 -1.501 0 O-C-N 121.527 -0.733 . . . . 0.0 109.842 -179.469 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.346 0.593 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 -10.9 55.99 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 m -63.28 120.64 11.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -1.23 . . . . 0.0 110.191 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.25 141.93 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 t -63.07 117.53 6.61 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.587 -1.321 . . . . 0.0 109.888 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PRO . 63.8 m -59.94 -40.13 87.88 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.33 -40.06 64.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 112.547 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.52 13.05 4.53 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.366 -1.459 . . . . 0.0 112.52 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.9 tt0 63.29 -0.92 0.59 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.759 -1.213 . . . . 0.0 113.584 176.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -63.1 148.35 48.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 119.622 -1.924 . . . . 0.0 108.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.5 p -108.92 -7.82 15.37 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 p -103.45 121.72 43.41 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.4 p -145.38 147.13 31.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 0.0 109.457 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 p -74.46 -40.58 61.81 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' CD2' ' NH1' ' A' ' 19' ' ' ARG . 4.1 tp -144.79 129.98 18.6 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -81.42 130.13 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.728 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.9 mmt180 -113.09 113.85 25.99 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 21' ' ' SER . 16.1 tpt180 -78.78 82.33 5.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 119.973 -1.704 . . . . 0.0 108.297 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.4 156.88 0.03 OUTLIER Pre-proline 0 N--CA 1.505 2.291 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -54.19 -16.41 9.62 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.241 1.961 . . . . 0.0 114.2 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.4 mtt -94.14 -16.88 23.34 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.963 -1.086 . . . . 0.0 109.377 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 16.86 23.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.72 122.0 54.49 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.617 -1.52 . . . . 0.0 109.369 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' SER . 5.7 Cg_exo -57.59 134.26 62.03 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 CA-C-N 120.049 1.053 . . . . 0.0 112.949 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.41 161.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 121.35 -0.843 . . . . 0.0 109.979 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.45 154.45 22.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.942 -1.099 . . . . 0.0 109.379 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.728 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.1 t-20 -44.76 -37.57 3.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.5 -0.75 . . . . 0.0 111.983 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -48.48 55.28 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.602 -1.311 . . . . 0.0 111.411 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' NH1' ' A' ' 42' ' ' ARG . 56.5 m -61.23 -41.7 97.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.87 -1.143 . . . . 0.0 110.885 -178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.67 56.74 Favored Glycine 0 N--CA 1.484 1.893 0 C-N-CA 118.903 -1.618 . . . . 0.0 109.752 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.51 -47.28 79.48 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 109.771 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 24.1 t80 -59.96 -42.98 95.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.052 -1.03 . . . . 0.0 109.489 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.632 ' O ' ' N ' ' A' ' 39' ' ' GLN . 16.8 t80 -68.82 -46.59 68.22 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.674 -0.642 . . . . 0.0 110.858 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -59.93 -41.21 91.31 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 119.942 -1.724 . . . . 0.0 110.386 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.05 -39.99 75.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.085 -1.009 . . . . 0.0 111.612 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -119.07 0.69 11.32 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.85 -1.156 . . . . 0.0 112.212 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.632 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.3 pt20 36.62 42.21 0.2 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.701 -1.25 . . . . 0.0 113.183 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.27 154.78 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.092 -1.005 . . . . 0.0 108.467 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -84.19 131.56 34.75 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.246 -0.909 . . . . 0.0 110.077 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.75 149.55 37.62 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.231 -0.918 . . . . 0.0 110.639 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.2 Cg_endo -62.9 153.25 74.39 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.372 1.381 . . . . 0.0 112.267 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.23 18.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.474 -0.766 . . . . 0.0 110.458 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.557 ' H ' ' C ' ' A' ' 43' ' ' PRO . 14.0 t -64.16 -18.11 64.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.312 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.6 mtp -100.89 -7.36 23.55 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.3 -0.875 . . . . 0.0 109.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -81.24 130.79 35.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.387 -0.82 . . . . 0.0 110.503 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -131.36 150.07 52.29 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -41.55 -85.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 110.942 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.66 -172.54 32.56 Favored Glycine 0 N--CA 1.493 2.462 0 O-C-N 121.049 -1.032 . . . . 0.0 111.229 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -90.69 141.01 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.766 -0.843 . . . . 0.0 109.339 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -80.48 152.66 28.62 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.05 162.46 34.08 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.914 -1.116 . . . . 0.0 110.606 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.483 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -149.97 158.93 44.66 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.351 0.595 . . . . 0.0 109.945 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -56.11 139.75 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.388 -0.82 . . . . 0.0 109.223 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.9 127.01 29.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.351 -0.843 . . . . 0.0 110.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.12 160.68 20.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.709 -0.619 . . . . 0.0 109.426 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 110.08 -179.329 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.562 0.696 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.6 -10.84 58.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -68.1 114.84 6.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.725 -1.456 . . . . 0.0 110.326 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.62 142.42 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' GLN . 43.7 t -63.97 119.05 9.36 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 120.79 -1.193 . . . . 0.0 110.395 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.6 m -60.59 -40.1 90.52 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.83 -0.543 . . . . 0.0 110.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -77.42 -38.68 49.18 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.066 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.7 p -128.59 13.57 6.47 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 120.291 1.405 . . . . 0.0 112.428 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 7' ' ' CYS . 24.4 mt-30 56.04 0.06 0.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.695 -1.253 . . . . 0.0 113.537 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 t -63.68 154.18 33.83 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 119.993 -1.692 . . . . 0.0 108.471 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -127.96 3.07 5.94 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.288 -0.882 . . . . 0.0 108.774 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.535 ' O ' ' CG1' ' A' ' 51' ' ' ILE . 6.0 p -100.34 49.17 0.91 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -78.92 144.47 34.84 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.315 -0.865 . . . . 0.0 111.54 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.9 p -77.49 -36.51 52.6 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 HH12 ' A' ' 19' ' ' ARG . 6.8 tp -141.94 130.9 23.09 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -80.86 125.24 29.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.678 -1.264 . . . . 0.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.458 HH12 HD21 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -117.2 129.34 55.87 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -82.5 148.06 28.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 119.987 -1.696 . . . . 0.0 106.854 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.73 157.04 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 120.963 -1.086 . . . . 0.0 109.582 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -50.29 -23.09 9.41 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.265 1.31 . . . . 0.0 112.104 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -90.72 -15.19 30.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.53 25.01 9.58 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.83 119.38 54.72 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.269 -1.136 . . . . 0.0 109.707 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -51.21 127.98 23.79 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 CA-C-N 120.154 1.091 . . . . 0.0 112.655 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.08 158.15 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.218 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -81.32 155.68 25.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.084 -1.01 . . . . 0.0 109.126 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 49.9 t-20 -49.93 -30.95 11.24 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.231 -0.918 . . . . 0.0 111.967 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.57 -50.19 16.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.253 -1.53 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.16 -40.54 81.66 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.603 -1.311 . . . . 0.0 109.618 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.92 69.37 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.163 -1.494 . . . . 0.0 110.229 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.18 -49.89 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.129 -1.218 . . . . 0.0 110.197 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.07 -42.19 94.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.856 -1.153 . . . . 0.0 109.602 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -69.52 -47.72 62.85 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 121.411 -0.806 . . . . 0.0 110.184 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.1 -42.37 94.53 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.954 -1.716 . . . . 0.0 110.026 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.12 -42.1 73.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.022 -1.049 . . . . 0.0 111.402 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLN . 76.1 m-70 -115.77 1.41 13.44 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 120.769 -1.207 . . . . 0.0 112.178 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 pm0 32.97 46.63 0.09 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.885 -1.134 . . . . 0.0 113.478 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.88 150.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 108.683 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.19 139.41 31.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.669 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.24 150.03 62.55 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.135 -0.978 . . . . 0.0 109.258 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.578 ' C ' ' H ' ' A' ' 45' ' ' THR . 4.4 Cg_exo -51.71 150.47 16.88 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 120.783 0.989 . . . . 0.0 113.357 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.06 7.22 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.445 -0.784 . . . . 0.0 110.147 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.578 ' H ' ' C ' ' A' ' 43' ' ' PRO . 13.1 t -63.18 -12.24 26.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 108.631 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tpt -95.58 -11.95 26.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.197 -0.939 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' NH1' ' O ' ' A' ' 10' ' ' CYS . 70.4 ttt180 -81.05 130.82 35.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.74 -0.6 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' C ' ' H ' ' A' ' 50' ' ' GLY . 19.4 mmmt -117.8 131.03 56.62 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.41 -0.806 . . . . 0.0 109.086 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -52.95 2.11 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.371 -0.83 . . . . 0.0 112.452 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.88 169.82 31.28 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 120.636 -1.29 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 14' ' ' THR . 33.3 mt -90.38 129.45 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -1.087 . . . . 0.0 108.811 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.32 151.29 28.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.502 -0.749 . . . . 0.0 109.356 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 167.85 20.45 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -152.71 163.0 40.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -54.19 135.84 43.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 108.906 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HG2' ' NH1' ' A' ' 56' ' ' ARG . 5.8 tpt180 -56.24 121.23 9.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 109.717 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -64.77 -167.9 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 0.0 109.507 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.387 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.09 2.51 64.27 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -63.43 120.36 11.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.725 -1.456 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.95 141.87 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.0 t -64.44 117.15 6.89 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.468 -1.395 . . . . 0.0 110.3 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PRO . 66.3 m -59.91 -40.05 87.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.462 -0.774 . . . . 0.0 110.478 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.408 ' HB3' HH12 ' A' ' 42' ' ' ARG . 94.1 m-20 -75.41 -38.67 59.73 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.212 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.4 p -130.79 12.43 5.28 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 120.318 1.417 . . . . 0.0 112.258 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 7' ' ' CYS . 28.7 mm100 59.33 1.49 0.25 Allowed 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -60.8 144.8 51.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.75 -1.844 . . . . 0.0 107.759 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -108.13 -3.22 18.79 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.447 ' H ' ' HG1' ' A' ' 14' ' ' THR . 6.6 p -106.55 121.38 44.19 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.8 p -144.59 148.86 34.89 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.074 -1.016 . . . . 0.0 110.121 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.5 p -74.12 -42.39 60.11 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD21 HH12 ' A' ' 19' ' ' ARG . 11.8 tp -143.67 130.88 20.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.202 -0.936 . . . . 0.0 108.691 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -77.37 127.56 32.78 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.836 -1.165 . . . . 0.0 108.801 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' NH1' HD21 ' A' ' 29' ' ' ASN . 1.7 mmt-85 -115.18 120.66 40.48 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.551 -0.718 . . . . 0.0 109.938 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -71.71 143.14 49.76 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -89.0 152.4 48.29 Favored Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 120.83 -1.169 . . . . 0.0 109.701 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -49.24 -22.82 6.02 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.13 1.22 . . . . 0.0 112.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' OD2' ' A' ' 25' ' ' ASP . 25.9 ptm -92.47 -14.41 28.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.336 -0.853 . . . . 0.0 109.776 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.24 23.13 10.71 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' OD2' ' SD ' ' A' ' 23' ' ' MET . 35.9 m-20 -103.35 117.22 60.69 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.03 -1.277 . . . . 0.0 108.825 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' SER . 14.6 Cg_exo -53.05 135.14 58.33 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 120.283 1.137 . . . . 0.0 112.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -139.88 159.65 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 O-C-N 121.109 -0.994 . . . . 0.0 110.246 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.4 153.06 25.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.218 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.549 HD21 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -49.96 -32.02 13.93 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.96 -1.088 . . . . 0.0 112.123 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -51.77 28.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.319 -1.488 . . . . 0.0 110.312 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 m -57.06 -43.85 82.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.969 -1.082 . . . . 0.0 110.567 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.83 -51.54 54.58 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.601 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.215 -1.168 . . . . 0.0 109.885 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.06 -41.7 92.91 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 109.551 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 39' ' ' GLN . 19.9 t80 -68.89 -48.12 64.15 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.659 -0.651 . . . . 0.0 110.44 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.02 -41.2 91.68 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 120.013 -1.68 . . . . 0.0 110.6 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.81 -38.58 76.66 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.052 -1.03 . . . . 0.0 110.871 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -119.49 -9.16 9.9 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.042 -1.036 . . . . 0.0 112.097 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.702 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.3 tt0 43.02 51.2 5.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.353 -1.467 . . . . 0.0 111.123 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.84 152.04 13.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -85.78 132.61 34.09 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.177 -0.952 . . . . 0.0 108.862 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.744 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -119.61 150.0 49.22 Favored Pre-proline 0 N--CA 1.507 2.4 0 O-C-N 121.326 -0.859 . . . . 0.0 109.47 -179.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -51.66 150.33 16.94 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 120.677 0.918 . . . . 0.0 113.633 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 46' ' ' MET . 5.8 mp -67.08 -19.12 65.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.837 -0.539 . . . . 0.0 110.646 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 2.0 t -43.53 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.09 -1.006 . . . . 0.0 110.318 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 44' ' ' LEU . 75.6 mmm -78.52 -46.64 19.07 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.026 -1.046 . . . . 0.0 110.189 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -81.33 169.23 17.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.88 . . . . 0.0 111.105 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -137.86 164.29 29.33 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -49.09 -79.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.913 . . . . 0.0 109.81 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.23 -176.73 24.55 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.25 135.91 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.368 -1.078 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -78.2 153.4 32.02 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.3 162.7 33.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.683 -1.261 . . . . 0.0 110.503 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.66 155.52 40.36 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.06 137.59 46.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.193 -0.942 . . . . 0.0 108.842 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -59.14 126.91 29.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.914 . . . . 0.0 110.436 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -68.28 -169.16 0.13 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.65 -0.656 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.305 -1.369 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.747 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.979 0 CA-C-O 121.392 0.615 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 1.03 62.63 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.214 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -59.47 120.81 10.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.572 -1.546 . . . . 0.0 109.262 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 m -116.46 140.03 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.2 t -62.95 118.55 7.96 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.592 -1.317 . . . . 0.0 110.494 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -60.14 -40.03 88.42 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.087 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.16 -39.69 54.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.956 -1.09 . . . . 0.0 112.481 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.6 p -128.31 15.13 6.68 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.691 -1.256 . . . . 0.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 7' ' ' CYS . 95.2 mt-30 56.1 0.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.846 -1.159 . . . . 0.0 113.301 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -65.37 153.11 42.15 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.962 -1.711 . . . . 0.0 109.434 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 t -114.01 -7.96 13.08 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 121.201 -0.937 . . . . 0.0 109.191 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -97.5 118.64 34.43 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -145.08 147.42 32.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 p -77.14 -37.18 54.5 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tp -149.06 131.14 15.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.94 129.31 34.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 108.925 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.794 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.3 mmt180 -113.65 122.68 47.92 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.222 -0.924 . . . . 0.0 109.514 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -71.94 140.53 49.22 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.029 -1.67 . . . . 0.0 107.536 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.34 160.48 37.01 Favored Pre-proline 0 N--CA 1.506 2.374 0 O-C-N 120.809 -1.182 . . . . 0.0 109.597 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.18 -20.76 15.12 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 121.305 1.337 . . . . 0.0 112.721 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -96.51 -8.32 32.35 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.016 . . . . 0.0 109.554 -179.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.29 27.78 19.44 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.041 -1.623 . . . . 0.0 109.041 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 5.9 m-20 -103.41 109.93 62.79 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.16 134.47 30.36 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.04 1.05 . . . . 0.0 113.357 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 m -138.35 159.81 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.872 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -81.92 157.86 24.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.851 -1.156 . . . . 0.0 109.952 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.794 ' ND2' HH21 ' A' ' 19' ' ' ARG . 51.1 t-20 -49.79 -42.27 46.36 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.488 -0.758 . . . . 0.0 112.111 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.08 59.15 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.594 -1.316 . . . . 0.0 110.658 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 35' ' ' TYR . 29.5 m -54.85 -45.87 74.6 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.803 -1.186 . . . . 0.0 110.699 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.04 67.07 Favored Glycine 0 C--N 1.284 -2.33 0 C-N-CA 119.162 -1.494 . . . . 0.0 110.983 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.84 -58.99 3.22 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.038 -1.272 . . . . 0.0 111.254 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.7 t80 -60.1 -42.25 94.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.62 -1.3 . . . . 0.0 110.242 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.9 t80 -64.7 -44.8 89.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.984 -1.072 . . . . 0.0 109.172 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.06 -43.69 95.23 Favored 'General case' 0 C--N 1.291 -1.978 0 O-C-N 120.287 -1.508 . . . . 0.0 109.983 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.76 -39.97 63.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.198 -0.939 . . . . 0.0 111.611 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.566 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-70 -114.25 -6.66 12.99 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.1 -1.0 . . . . 0.0 112.358 -176.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 35.58 48.9 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.861 -1.15 . . . . 0.0 112.723 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.45 143.34 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.198 -0.939 . . . . 0.0 108.789 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -87.82 137.21 32.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.702 -0.624 . . . . 0.0 109.539 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 15.9 mmm180 -107.02 150.47 39.87 Favored Pre-proline 0 N--CA 1.506 2.356 0 O-C-N 121.019 -1.051 . . . . 0.0 108.827 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' THR . 10.2 Cg_endo -63.0 45.8 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 120.567 0.845 . . . . 0.0 113.245 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ARG . 8.9 mp 45.87 13.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.232 -0.918 . . . . 0.0 111.703 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' PRO . 9.7 t -73.11 -10.1 59.42 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 120.585 -1.322 . . . . 0.0 109.384 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.643 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.8 tpt -97.72 -18.13 19.01 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.348 -0.845 . . . . 0.0 111.12 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.67 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -68.9 140.08 55.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.352 -1.467 . . . . 0.0 110.622 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 50' ' ' GLY . 8.0 mtmp? -115.01 128.68 56.42 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.61 6.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 111.282 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.613 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.19 167.04 30.66 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.634 -1.291 . . . . 0.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -94.64 114.69 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.322 -1.105 . . . . 0.0 108.188 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.2 167.09 22.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.172 -1.58 . . . . 0.0 110.187 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.31 161.09 36.75 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.508 0.671 . . . . 0.0 109.618 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -146.78 162.2 39.06 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.464 0.649 . . . . 0.0 109.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -58.52 140.57 53.91 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.329 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -62.01 127.14 29.98 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.424 -0.798 . . . . 0.0 109.472 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -66.12 -169.36 0.07 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.079 . . . . 0.0 110.054 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.517 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.19 0.519 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.3 -7.66 77.57 Favored Glycine 0 N--CA 1.499 2.838 0 O-C-N 121.142 -0.973 . . . . 0.0 111.142 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -68.31 111.85 4.84 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.85 -1.382 . . . . 0.0 109.734 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.57 142.86 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.3 t -61.83 116.07 4.53 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 120.7 -1.25 . . . . 0.0 110.197 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -60.02 -39.02 84.4 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.479 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -76.24 -39.31 54.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.826 -1.171 . . . . 0.0 112.47 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.7 p -129.49 11.12 5.76 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-N 120.627 1.558 . . . . 0.0 112.654 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.2 tt0 64.2 -2.6 0.57 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.822 -1.174 . . . . 0.0 113.684 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -61.66 159.17 13.84 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 119.431 -2.043 . . . . 0.0 109.019 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -135.59 13.05 3.46 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.923 -1.111 . . . . 0.0 108.688 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 10.5 p -114.79 48.95 1.08 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -76.86 148.14 36.68 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.233 -0.917 . . . . 0.0 112.071 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -78.47 -39.05 39.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' H ' ' HB2' ' A' ' 29' ' ' ASN . 3.6 tp -143.42 130.31 20.49 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -81.25 128.24 33.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.972 -1.08 . . . . 0.0 109.067 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.668 HH21 ' ND2' ' A' ' 29' ' ' ASN . 22.8 mmt180 -113.84 115.36 27.62 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.493 -0.754 . . . . 0.0 109.066 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 19.8 tpt180 -66.25 141.55 57.99 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.764 ' HG ' ' H ' ' A' ' 25' ' ' ASP . 1.7 p -91.11 151.79 43.46 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 120.868 -1.145 . . . . 0.0 109.29 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -47.28 -24.65 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.288 1.326 . . . . 0.0 113.304 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -90.47 -17.34 27.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.256 -0.903 . . . . 0.0 109.521 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 101.61 23.15 9.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.764 ' H ' ' HG ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -101.13 111.67 63.84 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.192 -1.181 . . . . 0.0 109.479 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -48.5 129.49 19.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 CA-C-N 120.167 1.095 . . . . 0.0 112.647 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.98 160.29 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 O-C-N 121.327 -0.858 . . . . 0.0 110.086 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.93 158.85 22.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.03 -1.044 . . . . 0.0 111.211 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.668 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.0 t-20 -44.3 -46.22 9.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.879 -178.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' HB2' HH12 ' A' ' 47' ' ' ARG . . . -67.97 -51.29 49.1 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.806 -1.184 . . . . 0.0 111.298 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.1 m -55.42 -46.49 76.66 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.687 -1.258 . . . . 0.0 109.372 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.21 59.62 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 119.327 -1.416 . . . . 0.0 110.425 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -52.83 21.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.069 -1.254 . . . . 0.0 110.344 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 20.2 t80 -59.98 -47.44 85.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.794 -1.191 . . . . 0.0 109.534 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.3 t80 -60.07 -45.17 93.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.98 -47.84 84.16 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 119.922 -1.737 . . . . 0.0 110.308 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.5 mp -70.17 -40.04 74.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.014 -1.054 . . . . 0.0 111.325 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -108.14 -20.09 13.27 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.954 -1.091 . . . . 0.0 112.288 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 35' ' ' TYR . 54.0 tt0 47.49 52.95 11.73 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.347 -1.471 . . . . 0.0 111.188 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -150.02 150.28 13.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -85.92 134.15 33.9 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.121 -0.987 . . . . 0.0 109.265 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -120.09 152.5 54.46 Favored Pre-proline 0 N--CA 1.508 2.448 0 O-C-N 121.265 -0.897 . . . . 0.0 109.863 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.9 Cg_endo -58.94 152.44 58.17 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.094 1.863 . . . . 0.0 113.06 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.12 24.52 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.491 -0.756 . . . . 0.0 111.082 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.521 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -62.42 -14.82 44.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.666 -1.271 . . . . 0.0 109.558 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.472 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 63.5 mmm -100.86 -14.63 17.88 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.285 -0.885 . . . . 0.0 110.404 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.4 mmp_? -83.11 136.26 34.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.048 -1.033 . . . . 0.0 112.023 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.7 mtpt -134.54 157.52 46.32 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LYS . 32.1 m-20 -41.73 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.551 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.42 -172.41 19.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.5 mt -90.69 145.16 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 121.136 -1.214 . . . . 0.0 109.251 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -71.96 147.3 47.08 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.05 158.55 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.856 -1.152 . . . . 0.0 110.185 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 55' ' ' ASN . 38.0 ttm180 -152.2 163.37 39.53 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.814 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 74.3 m-80 -49.6 132.72 21.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.137 -0.977 . . . . 0.0 108.502 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -59.01 131.65 51.69 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.705 0.764 . . . . 0.0 111.365 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.17 157.27 3.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.764 -0.585 . . . . 0.0 109.983 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.063 -179.108 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 14.37 40.38 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.144 -1.983 . . . . 0.0 108.144 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -61.09 119.86 9.16 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.28 -1.129 . . . . 0.0 110.42 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.15 140.74 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.1 t -66.16 118.99 10.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.652 -1.28 . . . . 0.0 110.53 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -60.84 -39.97 91.06 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.565 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.33 -39.92 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.941 -1.1 . . . . 0.0 112.234 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 p -129.04 7.16 5.49 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 120.37 1.441 . . . . 0.0 112.208 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 7' ' ' CYS . 38.7 tp60 62.23 1.67 0.74 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.327 -1.483 . . . . 0.0 112.74 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -64.23 154.03 36.23 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.119 -1.613 . . . . 0.0 108.244 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -114.09 -4.27 13.18 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.045 -1.035 . . . . 0.0 109.074 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -103.73 120.56 41.19 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -145.43 148.34 33.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.092 -1.005 . . . . 0.0 109.841 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.412 ' HG1' HD21 ' A' ' 29' ' ' ASN . 42.9 p -74.82 -41.16 60.45 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -145.62 131.09 18.71 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -77.87 128.62 34.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.692 HH21 ' ND2' ' A' ' 29' ' ' ASN . 28.3 mmt180 -111.85 178.15 4.41 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -131.99 140.95 49.12 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.83 161.82 32.7 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 120.827 -1.171 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -52.67 -18.02 8.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.455 1.436 . . . . 0.0 113.099 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.3 -2.72 41.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.94 -1.1 . . . . 0.0 109.698 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.48 27.36 27.6 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.6 117.16 65.67 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.207 -1.172 . . . . 0.0 109.69 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -52.1 138.15 53.67 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 CA-C-N 119.987 1.031 . . . . 0.0 112.007 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.28 159.81 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.228 -0.92 . . . . 0.0 110.342 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.7 159.73 21.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.109 -0.995 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.692 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.2 t-20 -47.68 -38.0 14.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.495 -0.753 . . . . 0.0 111.931 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -50.56 18.35 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.611 -1.306 . . . . 0.0 111.488 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CZ ' ' A' ' 42' ' ' ARG . 65.3 m -57.78 -43.12 85.37 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.451 -1.405 . . . . 0.0 109.849 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.57 -53.78 36.72 Favored Glycine 0 N--CA 1.484 1.851 0 C-N-CA 119.315 -1.421 . . . . 0.0 110.421 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.84 -47.61 74.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -1.148 . . . . 0.0 110.734 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.791 -1.193 . . . . 0.0 109.258 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.2 t80 -62.22 -49.09 77.14 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.717 0.77 . . . . 0.0 110.298 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -57.01 -41.74 79.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.046 -1.034 . . . . 0.0 111.704 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.0 -49.97 75.56 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.242 -1.536 . . . . 0.0 109.709 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 73.8 m-70 -101.7 -71.19 0.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER 116.15 55.44 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 124.082 0.953 . . . . 0.0 110.034 -179.591 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -147.43 160.65 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -84.59 153.1 23.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 108.668 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.09 149.95 61.82 Favored Pre-proline 0 N--CA 1.507 2.421 0 O-C-N 120.962 -1.086 . . . . 0.0 109.659 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.0 Cg_exo -48.9 151.6 5.38 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 120.74 0.96 . . . . 0.0 112.779 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.35 7.93 2.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.26 -0.9 . . . . 0.0 109.229 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 43' ' ' PRO . 81.4 p -64.13 -12.7 42.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 108.847 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttt -96.48 -7.48 34.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -80.18 131.36 35.7 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.421 0.629 . . . . 0.0 110.665 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' C ' ' H ' ' A' ' 50' ' ' GLY . 61.4 tttm -122.73 139.69 53.7 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 4.37 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.126 -0.984 . . . . 0.0 111.029 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.594 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.9 175.99 31.98 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.46 135.63 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.079 -1.248 . . . . 0.0 108.575 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.97 153.73 34.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 108.452 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.03 159.63 41.32 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.948 -1.095 . . . . 0.0 110.057 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -152.3 176.4 11.65 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.371 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.06 135.36 57.75 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.137 -0.977 . . . . 0.0 108.708 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 92.3 mtt180 -70.04 138.4 52.1 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.545 0.688 . . . . 0.0 112.503 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 28.8 ttmt -40.44 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.401 0.619 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 -12.31 44.04 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -69.16 110.45 4.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.661 -1.494 . . . . 0.0 110.018 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -121.21 141.37 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.0 t -61.9 120.18 10.25 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.817 -1.177 . . . . 0.0 110.931 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.698 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.93 -39.18 43.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.324 -0.95 . . . . 0.0 112.344 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 12' ' ' THR . 12.9 p -128.37 12.06 6.44 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 120.117 1.326 . . . . 0.0 112.254 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 7' ' ' CYS . 47.8 mt-30 55.33 -1.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.828 -1.17 . . . . 0.0 112.867 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 ' HG1' HH21 ' A' ' 47' ' ' ARG . 6.0 t -61.71 155.54 22.49 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.214 -1.554 . . . . 0.0 107.902 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.5 p -131.92 10.92 4.67 Favored 'General case' 0 N--CA 1.509 2.518 0 O-C-N 120.884 -1.135 . . . . 0.0 109.706 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 17.8 p -110.01 47.66 0.94 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.245 -0.909 . . . . 0.0 108.596 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -77.93 148.52 34.49 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.615 -0.678 . . . . 0.0 111.483 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 15.9 p -76.59 -37.92 55.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' HG1' ' A' ' 16' ' ' THR . 7.3 tp -141.18 131.19 24.59 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -79.72 129.54 34.56 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.905 -1.122 . . . . 0.0 109.163 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -114.17 179.77 3.86 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.49 0.662 . . . . 0.0 109.727 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -131.68 143.56 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.51 159.59 38.56 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.126 -0.984 . . . . 0.0 108.81 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -16.3 5.97 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.238 1.292 . . . . 0.0 112.038 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -94.48 -10.61 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.325 -0.859 . . . . 0.0 109.994 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.35 24.56 26.15 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.8 m-20 -99.21 116.66 64.98 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.467 -1.02 . . . . 0.0 109.276 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -49.42 131.55 27.79 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.023 1.044 . . . . 0.0 112.372 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.53 159.39 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.432 -0.792 . . . . 0.0 110.125 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 p -82.64 154.77 24.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.154 -0.966 . . . . 0.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -50.02 -31.6 13.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.259 -0.901 . . . . 0.0 111.078 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.74 15.92 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.709 -1.244 . . . . 0.0 111.001 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.5 m -58.37 -41.21 84.28 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.398 -1.439 . . . . 0.0 110.454 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.14 64.75 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 118.621 -1.752 . . . . 0.0 109.608 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.99 -51.32 33.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.44 -1.035 . . . . 0.0 110.549 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 15.1 t80 -60.01 -47.55 85.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.123 . . . . 0.0 109.893 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.0 t80 -60.0 -45.48 92.62 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.694 0.759 . . . . 0.0 109.848 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -60.07 -41.31 92.12 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 120.082 -1.636 . . . . 0.0 110.526 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.78 -40.97 72.3 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.851 -1.156 . . . . 0.0 111.989 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -114.78 -10.35 12.41 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.889 -1.132 . . . . 0.0 111.36 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.8 tt0 43.55 53.68 5.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.656 -1.277 . . . . 0.0 111.449 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 m -149.13 156.4 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -85.6 124.63 32.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.772 -1.205 . . . . 0.0 109.438 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -96.58 131.96 27.24 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.205 -0.935 . . . . 0.0 109.819 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -45.51 152.2 0.92 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 119.968 1.024 . . . . 0.0 113.01 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.41 5.41 1.78 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.476 -0.765 . . . . 0.0 111.337 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -58.45 -13.22 4.98 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 110.248 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ttt -94.31 -11.23 30.51 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.933 -1.104 . . . . 0.0 110.275 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 HH21 ' HG1' ' A' ' 12' ' ' THR . 18.3 mmm180 -79.74 138.01 37.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.787 -1.196 . . . . 0.0 109.597 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' C ' ' H ' ' A' ' 50' ' ' GLY . 9.3 mtpm? -124.31 142.51 51.21 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.25 2.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.325 -0.859 . . . . 0.0 112.349 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -152.32 171.99 31.55 Favored Glycine 0 N--CA 1.495 2.616 0 O-C-N 120.41 -1.431 . . . . 0.0 109.958 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -87.87 136.17 23.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 O-C-N 121.26 -1.141 . . . . 0.0 109.055 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.78 146.04 31.16 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.74 159.29 42.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.933 -1.104 . . . . 0.0 109.206 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -150.76 156.57 41.56 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -53.77 139.88 31.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.452 -0.78 . . . . 0.0 109.423 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -62.59 131.24 48.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.423 -0.798 . . . . 0.0 110.665 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -70.26 -168.66 0.24 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 111.023 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.629 -0.67 . . . . 0.0 109.756 -179.381 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.355 0.598 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.46 -16.4 10.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -62.89 119.95 10.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -1.205 . . . . 0.0 110.619 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -121.5 140.65 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.5 t -62.86 117.23 6.08 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 120.804 -1.185 . . . . 0.0 110.413 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.7 m -60.19 -39.94 88.27 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 109.988 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.05 -39.16 63.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.879 -1.138 . . . . 0.0 111.666 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' THR . 4.1 p -133.58 16.92 3.97 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.644 -1.285 . . . . 0.0 112.549 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' CYS . 40.8 tt0 51.74 -1.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.576 -1.327 . . . . 0.0 114.151 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 t -57.07 145.06 32.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 119.339 -2.101 . . . . 0.0 107.996 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.8 p -107.28 -9.76 15.98 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.143 -0.973 . . . . 0.0 109.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 p -98.29 119.37 36.85 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -145.3 149.12 34.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.154 -0.966 . . . . 0.0 109.492 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 p -78.26 -38.88 41.72 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -148.06 131.32 16.49 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.221 -0.924 . . . . 0.0 108.649 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -80.82 130.26 34.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.021 -1.05 . . . . 0.0 108.788 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.763 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.0 mmt180 -115.6 121.41 42.54 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.056 -1.027 . . . . 0.0 109.656 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 141.24 54.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.985 -1.697 . . . . 0.0 106.671 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.635 ' HG ' ' H ' ' A' ' 23' ' ' MET . 0.2 OUTLIER -90.44 157.47 44.57 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 120.787 -1.195 . . . . 0.0 109.658 -179.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -50.71 -21.87 8.72 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.13 1.22 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.635 ' H ' ' HG ' ' A' ' 21' ' ' SER . 10.5 tpt -96.08 -12.17 25.24 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -0.927 . . . . 0.0 109.218 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.59 27.27 10.72 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -104.66 110.21 64.04 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.169 -1.195 . . . . 0.0 109.166 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -49.88 131.18 29.1 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 119.98 1.028 . . . . 0.0 112.757 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -133.95 161.77 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 O-C-N 121.669 -0.645 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.18 156.21 23.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.825 -1.172 . . . . 0.0 109.443 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.763 ' ND2' HH21 ' A' ' 19' ' ' ARG . 38.7 t-20 -45.7 -46.64 15.01 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.516 -0.74 . . . . 0.0 112.085 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -50.21 71.67 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.683 -1.261 . . . . 0.0 111.048 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.7 m -55.77 -43.14 76.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.607 -1.308 . . . . 0.0 110.075 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.71 72.93 Favored Glycine 0 C--N 1.291 -1.963 0 C-N-CA 119.166 -1.493 . . . . 0.0 110.417 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.34 -51.94 26.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.142 -1.211 . . . . 0.0 110.669 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.94 -41.89 92.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.741 -1.225 . . . . 0.0 109.201 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.711 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.5 t80 -66.32 -48.15 71.21 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-O 121.69 0.757 . . . . 0.0 109.863 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 119.862 -1.774 . . . . 0.0 109.892 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.08 -41.07 71.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 111.165 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -114.52 -10.16 12.59 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 120.835 -1.166 . . . . 0.0 112.007 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.711 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.5 tt0 41.27 55.84 3.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.54 -1.35 . . . . 0.0 112.027 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -149.54 153.47 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 6.9 p30 -83.73 123.64 30.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.91 -1.119 . . . . 0.0 109.587 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 42' ' ' ARG . 9.6 ttt-85 -97.67 132.38 25.18 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -48.42 150.93 5.13 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 CA-C-N 119.86 0.986 . . . . 0.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' MET . 8.4 mp -66.52 -12.59 58.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.661 -0.649 . . . . 0.0 111.807 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -46.49 -13.27 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.863 -1.148 . . . . 0.0 110.473 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' LEU . 26.8 ttt -97.74 -14.0 21.1 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.951 -1.093 . . . . 0.0 112.675 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.586 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 18.4 mmt180 -77.14 149.62 35.62 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.088 -1.633 . . . . 0.0 110.441 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ASP . 80.6 tttt -124.84 142.31 51.52 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' LYS . 73.0 m-20 -42.45 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.245 -0.909 . . . . 0.0 110.543 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.02 -173.21 24.4 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -92.63 143.4 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.252 -1.146 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -80.31 151.68 29.38 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.04 161.78 36.8 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.474 -1.391 . . . . 0.0 111.106 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -144.93 171.34 14.58 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.93 140.01 56.99 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' A' ' 56' ' ' ARG . 22.6 mmt-85 -56.57 126.48 26.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.317 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 5.0 ttpm? -47.35 165.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.529 -0.732 . . . . 0.0 109.274 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.8 t . . . . . 0 C--N 1.302 -1.461 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.424 0.631 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 3.39 68.09 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 m -63.85 121.44 14.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -1.182 . . . . 0.0 112.09 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.66 141.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.7 t -57.7 119.58 6.87 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 120.809 -1.182 . . . . 0.0 111.188 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.02 -39.96 87.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.775 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.403 ' H ' HG11 ' A' ' 27' ' ' VAL . 98.1 m-20 -79.28 -38.13 36.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.894 -1.129 . . . . 0.0 111.245 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' GLN . 4.2 p -134.66 23.87 3.68 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.522 -1.361 . . . . 0.0 112.595 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' CYS . 10.4 pt20 27.66 58.98 0.1 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.452 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 10.2 t -99.6 140.9 33.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -99.97 -2.84 33.55 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.956 1.707 . . . . 0.0 107.931 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -110.25 119.31 38.82 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -144.36 148.57 34.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.12 -0.988 . . . . 0.0 109.551 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.664 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 5.0 p -76.83 -41.45 44.16 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.664 ' N ' ' HG1' ' A' ' 16' ' ' THR . 8.8 tp -145.32 131.5 19.45 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.329 -0.857 . . . . 0.0 108.737 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -81.63 129.62 34.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 108.853 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.69 HH21 ' ND2' ' A' ' 29' ' ' ASN . 16.0 mmt180 -112.23 117.17 31.8 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.137 -0.977 . . . . 0.0 108.75 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' SER . 7.6 tpp180 -86.38 85.0 7.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 119.979 -1.701 . . . . 0.0 108.645 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -33.74 157.37 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.813 -0.554 . . . . 0.0 111.923 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.21 -8.85 2.81 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.623 1.549 . . . . 0.0 112.847 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.6 -24.65 19.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.336 -0.852 . . . . 0.0 109.476 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.35 17.07 18.81 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 4.8 m-20 -102.61 129.37 26.08 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.794 -1.415 . . . . 0.0 109.214 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -65.09 135.92 45.81 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 CA-C-N 120.16 1.093 . . . . 0.0 113.588 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG11 ' H ' ' A' ' 9' ' ' ASN . 6.3 m -142.76 161.01 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.389 -0.819 . . . . 0.0 109.29 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 p -83.75 155.95 22.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.921 -1.112 . . . . 0.0 110.046 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.69 ' ND2' HH21 ' A' ' 19' ' ' ARG . 49.4 t-20 -49.54 -35.52 20.58 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.489 -0.757 . . . . 0.0 111.56 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' CB ' HH22 ' A' ' 42' ' ' ARG . . . -68.68 -49.0 62.49 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.596 -1.315 . . . . 0.0 110.216 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.535 ' CA ' HH21 ' A' ' 42' ' ' ARG . 56.9 m -61.63 -43.97 97.87 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.955 -1.091 . . . . 0.0 109.881 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.33 -51.3 43.09 Favored Glycine 0 C--N 1.291 -1.925 0 C-N-CA 119.154 -1.498 . . . . 0.0 110.39 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.41 -49.82 51.59 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.161 -1.199 . . . . 0.0 110.736 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.517 -1.364 . . . . 0.0 109.652 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.0 t80 -67.77 -49.66 61.29 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.821 0.819 . . . . 0.0 109.884 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.98 -40.71 90.04 Favored 'General case' 0 C--N 1.289 -2.03 0 O-C-N 120.209 -1.557 . . . . 0.0 109.873 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.52 -40.02 73.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.403 -0.811 . . . . 0.0 111.515 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -120.08 -4.68 10.04 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.92 -1.113 . . . . 0.0 111.991 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.4 tt0 39.58 55.63 2.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.882 -1.136 . . . . 0.0 111.612 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.55 150.84 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -85.53 129.32 34.85 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.153 -0.967 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.535 HH21 ' CA ' ' A' ' 31' ' ' CYS . 14.1 ptt180 -101.87 151.57 37.99 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.206 -0.934 . . . . 0.0 110.198 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.8 Cg_endo -63.63 149.19 91.52 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.193 1.262 . . . . 0.0 112.334 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.54 9.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.401 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 43' ' ' PRO . 12.2 p -60.97 -15.56 32.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.833 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.24 -8.66 32.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.258 -0.901 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -77.39 125.02 28.66 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' C ' ' H ' ' A' ' 50' ' ' GLY . 23.2 ttpp -122.27 137.02 54.99 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.66 1.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.279 -0.888 . . . . 0.0 111.849 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.17 173.05 32.09 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.563 -1.335 . . . . 0.0 110.377 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mt -90.41 139.88 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.026 . . . . 0.0 108.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -80.28 148.48 30.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.162 -0.961 . . . . 0.0 109.108 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 161.97 35.81 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.742 -1.224 . . . . 0.0 110.466 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -151.08 159.15 44.68 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.48 136.0 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.995 -1.065 . . . . 0.0 109.016 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 122.54 7.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -69.84 -177.05 1.19 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 110.282 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.515 -0.741 . . . . 0.0 109.663 -179.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.371 0.605 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.95 -12.16 50.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -68.08 111.63 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.802 -1.411 . . . . 0.0 109.748 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.56 140.37 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -62.7 116.83 5.55 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.424 -1.423 . . . . 0.0 109.986 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m -60.05 -39.95 87.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.67 -0.644 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.71 -39.36 57.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.949 -1.094 . . . . 0.0 111.965 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -129.01 13.97 6.27 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 120.539 -1.351 . . . . 0.0 112.473 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.8 mt-30 59.18 2.34 0.28 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -62.93 147.09 51.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.788 -1.82 . . . . 0.0 108.302 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -109.75 -10.7 14.78 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 107.337 -1.356 . . . . 0.0 107.337 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.3 p -102.73 125.39 49.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -148.31 152.28 36.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.235 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -74.23 -40.37 62.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD21 HH12 ' A' ' 19' ' ' ARG . 9.1 tp -146.46 133.1 19.87 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -79.36 124.72 28.68 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.708 -1.245 . . . . 0.0 110.17 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 HH12 HD21 ' A' ' 17' ' ' LEU . 2.8 mmt-85 -115.51 128.87 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.924 -0.485 . . . . 0.0 109.745 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.47 145.43 29.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.164 -1.585 . . . . 0.0 107.11 178.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.48 158.73 42.71 Favored Pre-proline 0 N--CA 1.498 1.973 0 O-C-N 120.871 -1.143 . . . . 0.0 108.699 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -49.83 -21.98 6.62 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.495 1.463 . . . . 0.0 113.333 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -92.83 -9.57 39.9 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.987 -1.071 . . . . 0.0 109.825 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.74 21.81 27.67 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.16 113.47 63.98 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -49.02 126.54 15.35 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 CA-C-N 119.923 1.008 . . . . 0.0 112.792 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.04 158.8 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.523 -0.736 . . . . 0.0 109.9 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -82.26 156.84 24.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 0.0 109.02 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -50.0 -34.54 21.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.141 -0.974 . . . . 0.0 110.867 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.3 13.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.716 -1.24 . . . . 0.0 110.478 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.3 -44.0 88.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.827 -1.171 . . . . 0.0 110.083 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.88 -47.89 46.46 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.623 -1.275 . . . . 0.0 110.18 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.3 -51.91 32.62 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.262 -1.14 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.1 t80 -60.12 -40.51 89.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.402 -1.436 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.2 t80 -62.96 -51.48 66.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.261 -0.899 . . . . 0.0 109.921 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.01 -40.95 91.02 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.624 -1.297 . . . . 0.0 110.605 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.97 -47.66 84.92 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.913 -1.117 . . . . 0.0 108.586 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.566 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 57.3 m-70 -106.45 -72.59 0.71 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.566 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 16.5 tt0 114.22 59.01 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.986 0 CA-C-O 122.395 1.093 . . . . 0.0 108.584 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -147.96 160.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -85.26 129.16 34.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.567 -1.333 . . . . 0.0 109.532 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -92.32 130.25 38.31 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.802 . . . . 0.0 109.443 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -46.72 150.65 2.39 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 CA-C-N 120.058 1.057 . . . . 0.0 112.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.1 mp -64.59 -29.9 70.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.579 -0.701 . . . . 0.0 110.711 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 57.3 p -47.16 -15.27 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.736 -1.228 . . . . 0.0 109.471 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' LEU . 11.1 tpt -80.58 -43.97 19.74 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.382 -0.824 . . . . 0.0 110.621 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.03 172.13 14.18 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.196 -0.94 . . . . 0.0 110.91 -178.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -137.89 159.62 41.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.31 -83.27 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.463 -0.773 . . . . 0.0 110.218 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.62 -171.43 26.92 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 mt -88.87 141.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -1.202 . . . . 0.0 109.824 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.28 156.47 28.06 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.93 160.62 39.99 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.813 -1.18 . . . . 0.0 111.691 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -149.99 170.16 19.51 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.981 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -57.45 142.28 44.56 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -64.57 126.14 26.92 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.642 0.734 . . . . 0.0 110.781 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.05 139.91 50.81 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.538 0.685 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.3 -1.572 0 O-C-N 121.558 -0.714 . . . . 0.0 109.648 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.175 0.512 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.22 83.77 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.193 -0.942 . . . . 0.0 111.734 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 m -68.71 118.42 11.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.781 -1.423 . . . . 0.0 110.818 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -121.59 142.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.3 t -59.74 119.37 7.51 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.833 -1.167 . . . . 0.0 110.581 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -60.96 -40.15 92.25 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -77.52 -38.27 49.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.85 -1.156 . . . . 0.0 111.691 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 p -131.0 14.57 5.22 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 120.135 1.334 . . . . 0.0 113.079 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.3 mt-30 57.03 0.01 0.07 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -59.55 157.49 11.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 119.695 -1.878 . . . . 0.0 108.292 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 p -132.33 9.52 4.39 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 120.747 -1.221 . . . . 0.0 108.638 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 80.5 p -114.22 50.93 0.9 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.709 0.766 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 p -78.86 149.73 32.4 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 121.272 -0.892 . . . . 0.0 111.157 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 33.2 p -74.35 -39.02 63.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' N ' ' HG1' ' A' ' 16' ' ' THR . 8.7 tp -143.75 132.31 22.33 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -79.09 127.69 32.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.057 -1.027 . . . . 0.0 109.86 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -117.96 131.52 56.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.85 -0.531 . . . . 0.0 110.019 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.5 mmt-85 -84.14 145.23 28.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.327 -1.483 . . . . 0.0 107.605 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -91.03 152.96 44.77 Favored Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.965 -1.084 . . . . 0.0 108.655 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -44.87 -19.87 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.142 1.228 . . . . 0.0 114.082 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.27 -11.42 27.95 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.771 -1.206 . . . . 0.0 110.618 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.71 26.28 10.85 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.6 m-20 -105.92 115.04 62.04 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.165 -1.197 . . . . 0.0 109.2 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -49.0 128.51 19.47 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.084 1.066 . . . . 0.0 113.299 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.62 158.47 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.39 0 O-C-N 121.574 -0.704 . . . . 0.0 109.546 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.77 154.45 24.74 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.065 -1.022 . . . . 0.0 109.095 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -49.48 -41.19 39.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.377 -0.827 . . . . 0.0 111.483 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.12 66.3 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.482 -1.386 . . . . 0.0 110.314 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.9 m -57.42 -44.19 84.42 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.616 -1.303 . . . . 0.0 110.005 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.98 -49.92 64.31 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 118.829 -1.653 . . . . 0.0 109.99 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.82 -50.88 54.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.282 -1.128 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 34.6 t80 -59.98 -45.94 91.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.435 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.9 t80 -61.88 -46.81 87.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.647 . . . . 0.0 110.566 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -60.05 -41.56 92.59 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.15 -1.594 . . . . 0.0 110.585 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.03 -39.96 75.46 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.903 -1.123 . . . . 0.0 111.557 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLN . 49.6 m-70 -120.08 9.03 11.06 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 120.901 -1.124 . . . . 0.0 112.171 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 35' ' ' TYR . 21.4 pt20 33.07 41.61 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.688 -1.257 . . . . 0.0 113.682 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -138.53 156.45 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.56 127.86 34.28 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.043 -1.036 . . . . 0.0 110.627 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.545 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.2 OUTLIER -92.68 134.11 28.3 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.128 -0.983 . . . . 0.0 110.397 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -43.79 151.67 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.226 1.284 . . . . 0.0 113.471 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' MET . 4.6 mp -70.04 -29.02 65.95 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.684 . . . . 0.0 110.532 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.9 p -46.75 -12.72 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.298 -0.876 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 44' ' ' LEU . 4.1 tpt -70.0 -47.19 63.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.215 -0.928 . . . . 0.0 109.911 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -83.09 171.43 13.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.306 -0.871 . . . . 0.0 111.324 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 68.4 mttm -139.3 168.01 20.79 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 1.3 p-10 -38.42 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.419 -0.801 . . . . 0.0 111.32 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.502 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -69.37 -174.01 10.68 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -89.25 140.42 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.273 -1.133 . . . . 0.0 109.087 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -74.8 147.6 41.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.51 158.06 44.57 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.886 -1.134 . . . . 0.0 110.572 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -147.56 165.54 30.04 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -49.94 138.46 15.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.183 -0.948 . . . . 0.0 108.853 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.83 131.64 47.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 111.618 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -47.84 160.54 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.494 0.664 . . . . 0.0 110.297 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.472 -0.768 . . . . 0.0 109.396 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -16.37 12.57 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -69.99 116.9 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.796 -1.414 . . . . 0.0 110.074 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.37 141.22 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.8 t -61.45 117.83 6.2 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.513 -1.367 . . . . 0.0 110.491 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -59.94 -39.89 87.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.67 -0.644 . . . . 0.0 109.733 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -74.34 -39.2 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.013 -1.055 . . . . 0.0 111.678 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.31 14.68 3.81 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.451 -1.405 . . . . 0.0 112.987 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.8 mt-30 56.96 0.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.428 -1.42 . . . . 0.0 114.019 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -61.0 148.89 38.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 119.526 -1.984 . . . . 0.0 107.334 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 p -111.34 -9.84 14.25 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -100.22 120.53 40.04 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 p -145.48 149.17 34.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.029 -1.044 . . . . 0.0 109.605 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.3 p -72.85 -40.48 65.67 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -147.37 132.55 18.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.383 -0.823 . . . . 0.0 109.024 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -80.02 129.23 34.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 0.0 108.545 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.695 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.8 mmt180 -116.09 119.98 37.59 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.089 -1.007 . . . . 0.0 109.859 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -68.31 141.07 55.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.238 -1.539 . . . . 0.0 107.088 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 155.27 43.12 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.71 -1.244 . . . . 0.0 110.143 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -47.62 -22.36 2.9 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.444 1.43 . . . . 0.0 113.54 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.5 mtp -95.17 -13.06 25.33 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.812 -1.18 . . . . 0.0 109.969 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.87 20.68 18.08 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -102.11 110.99 63.81 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.975 -1.309 . . . . 0.0 110.34 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -48.15 136.55 24.21 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 CA-C-N 120.019 1.043 . . . . 0.0 113.474 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.12 161.72 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.479 -0.763 . . . . 0.0 109.867 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.27 155.82 22.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.695 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.6 t-20 -43.71 -43.81 6.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.568 -0.707 . . . . 0.0 111.265 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.53 57.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.752 -1.218 . . . . 0.0 111.601 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -58.55 -43.68 89.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.38 -1.45 . . . . 0.0 110.183 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.64 -46.15 47.25 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.107 -1.52 . . . . 0.0 110.14 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -73.05 -52.87 12.72 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.599 -0.941 . . . . 0.0 110.879 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.07 -41.28 92.09 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 120.733 -1.229 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.75 -50.57 68.57 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.321 -0.862 . . . . 0.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.12 -41.88 89.24 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.427 -1.421 . . . . 0.0 110.873 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.6 -48.92 79.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.415 -1.428 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 64.0 m-70 -101.35 -71.71 0.7 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 48.7 tt0 109.67 57.87 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.705 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.28 163.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -85.98 138.39 32.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.952 -1.092 . . . . 0.0 110.269 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -110.25 135.12 20.61 Favored Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 121.227 -0.921 . . . . 0.0 110.161 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -45.37 151.27 1.02 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 CA-C-N 119.798 0.964 . . . . 0.0 112.489 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -71.87 -9.8 58.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 111.595 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LEU . 6.5 t -45.59 -16.75 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.817 -1.177 . . . . 0.0 109.87 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -85.12 -32.11 22.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.361 -0.837 . . . . 0.0 111.824 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -72.92 151.55 41.84 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.895 -1.128 . . . . 0.0 111.324 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.8 mttp -134.06 159.32 41.18 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' LYS . 4.0 m-20 -40.02 -88.11 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.143 -0.973 . . . . 0.0 110.907 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -167.02 18.75 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.36 144.06 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -1.064 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -77.64 152.4 33.86 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.62 162.11 36.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.553 -1.342 . . . . 0.0 111.398 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.23 169.78 21.08 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.688 0.756 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -65.94 140.22 58.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.646 -0.659 . . . . 0.0 110.367 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -66.92 126.82 30.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.524 -0.735 . . . . 0.0 110.365 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -65.15 -173.77 0.14 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.289 -0.882 . . . . 0.0 110.12 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.155 0.502 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -11.19 56.51 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -62.1 120.21 10.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.262 . . . . 0.0 110.386 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.88 141.8 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.7 t -63.86 115.12 4.53 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.634 -1.292 . . . . 0.0 110.294 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -60.08 -40.02 88.13 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.218 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.02 -39.84 68.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.0 112.259 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' CZ ' ' A' ' 47' ' ' ARG . 8.2 p -130.37 12.99 5.54 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.532 -1.355 . . . . 0.0 112.184 -178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 7' ' ' CYS . 68.8 mt-30 56.43 1.96 0.08 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.844 -1.16 . . . . 0.0 113.721 176.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t -64.97 158.34 25.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 119.973 -1.705 . . . . 0.0 108.356 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 9.31 4.26 Favored 'General case' 0 N--CA 1.512 2.635 0 O-C-N 120.995 -1.066 . . . . 0.0 109.746 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.44 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 4.9 p -109.55 48.33 0.89 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.045 0.926 . . . . 0.0 108.656 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -76.66 148.12 37.06 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.32 -0.863 . . . . 0.0 111.521 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -77.17 -36.82 54.78 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -148.56 132.43 17.06 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.427 -0.796 . . . . 0.0 109.29 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -81.6 129.52 34.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.798 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.725 ' NH2' HD21 ' A' ' 29' ' ' ASN . 20.8 mmt180 -116.35 123.53 47.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.318 -0.864 . . . . 0.0 109.059 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -74.49 143.81 44.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.688 -1.882 . . . . 0.0 107.54 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -91.85 156.73 42.36 Favored Pre-proline 0 N--CA 1.503 2.187 0 O-C-N 120.911 -1.118 . . . . 0.0 109.699 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -49.17 -20.55 3.46 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.183 1.255 . . . . 0.0 112.724 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.75 -12.65 23.43 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.053 -1.029 . . . . 0.0 109.682 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.91 8.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -104.72 110.91 65.05 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.061 -1.258 . . . . 0.0 109.567 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -49.37 134.92 32.21 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 119.796 0.963 . . . . 0.0 112.786 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 11.1 m -140.18 159.95 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.371 0 O-C-N 121.299 -0.876 . . . . 0.0 110.517 178.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.36 156.38 23.04 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.204 -0.935 . . . . 0.0 108.624 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.725 HD21 ' NH2' ' A' ' 19' ' ' ARG . 22.7 t-20 -49.57 -42.17 43.64 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.084 -1.01 . . . . 0.0 111.582 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.37 -55.82 28.96 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.432 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 57.6 m -55.5 -48.38 74.72 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.712 -1.243 . . . . 0.0 110.403 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.32 -50.0 48.75 Favored Glycine 0 C--N 1.286 -2.241 0 C-N-CA 119.237 -1.459 . . . . 0.0 110.508 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.26 -54.55 14.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.905 -1.35 . . . . 0.0 110.964 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' CZ ' ' NE ' ' A' ' 42' ' ' ARG . 45.4 t80 -59.92 -46.14 90.33 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.526 -1.359 . . . . 0.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 39' ' ' GLN . 20.9 t80 -59.02 -42.13 89.43 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.197 -0.939 . . . . 0.0 108.999 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -58.54 -46.16 87.41 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.902 -1.123 . . . . 0.0 110.147 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 -57.78 11.3 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.504 -1.372 . . . . 0.0 109.909 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.5 m-70 -96.01 -72.59 0.63 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 1.6 pt20 111.15 56.25 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 0 CA-C-O 122.399 1.095 . . . . 0.0 109.954 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.82 156.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -86.85 141.39 28.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.126 -0.984 . . . . 0.0 109.789 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.58 ' NE ' ' CZ ' ' A' ' 34' ' ' TYR . 20.5 mmt180 -99.04 150.21 36.48 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.662 -1.274 . . . . 0.0 109.391 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -64.77 44.42 0.14 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 119.65 0.911 . . . . 0.0 112.296 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 42' ' ' ARG . 9.3 mp 45.74 25.73 0.3 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 110.89 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -12.45 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.739 -1.226 . . . . 0.0 109.95 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mmm -98.53 -14.73 19.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.185 -0.947 . . . . 0.0 111.443 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 8.4 mmt180 -81.69 139.61 34.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.355 -1.465 . . . . 0.0 109.908 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -125.6 -151.99 0.5 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -89.16 -84.25 0.22 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.417 -1.427 . . . . 0.0 108.112 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.34 -166.06 21.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.2 mt -91.9 144.16 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -1.211 . . . . 0.0 109.987 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -72.13 149.24 44.92 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -140.11 157.57 45.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.916 -1.115 . . . . 0.0 110.662 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 51.1 mtt-85 -147.74 164.54 33.26 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.626 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -57.01 136.59 56.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 108.942 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.73 130.93 48.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.529 -0.732 . . . . 0.0 109.911 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.53 -170.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.304 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.305 -1.344 0 O-C-N 121.444 -0.785 . . . . 0.0 109.021 179.555 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.523 0.678 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.04 -12.97 51.93 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -68.22 114.87 7.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.046 -1.267 . . . . 0.0 110.794 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.11 140.66 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLN . 49.3 t -63.44 119.07 9.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.21 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -62.08 -40.0 94.34 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.451 -0.78 . . . . 0.0 110.458 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -74.43 -40.07 62.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.879 -1.138 . . . . 0.0 111.99 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.57 12.7 6.42 Favored 'General case' 0 N--CA 1.514 2.772 0 O-C-N 120.46 -1.4 . . . . 0.0 112.452 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.6 mt-30 56.36 1.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -63.07 150.57 42.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.72 -1.863 . . . . 0.0 107.526 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -107.87 -10.01 15.62 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -99.32 122.41 42.43 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -146.23 149.42 33.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.225 -0.922 . . . . 0.0 109.113 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -72.81 -39.85 66.3 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -145.13 132.2 20.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -78.83 129.11 34.23 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.626 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' NH1' HD21 ' A' ' 29' ' ' ASN . 2.1 mmt-85 -117.98 129.87 55.85 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.821 -0.549 . . . . 0.0 109.905 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 147.66 30.03 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 158.77 40.55 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 120.871 -1.143 . . . . 0.0 109.006 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -53.13 -18.33 9.83 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.036 1.157 . . . . 0.0 111.577 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 94.1 mmm -92.7 -13.66 29.08 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.519 -0.738 . . . . 0.0 109.948 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.28 21.82 14.3 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -102.62 131.51 22.29 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.094 -1.239 . . . . 0.0 110.039 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -64.64 129.17 22.86 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 CA-C-N 120.163 1.094 . . . . 0.0 112.041 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -133.1 159.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.436 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 p -82.23 152.64 26.3 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.047 -1.033 . . . . 0.0 108.339 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.551 HD21 ' NH1' ' A' ' 19' ' ' ARG . 23.6 t-20 -49.84 -30.3 9.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.246 -0.909 . . . . 0.0 111.393 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' HB2' HH12 ' A' ' 47' ' ' ARG . . . -71.95 -51.63 21.11 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.732 -1.23 . . . . 0.0 110.049 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.6 m -59.39 -41.8 90.24 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.862 -1.149 . . . . 0.0 109.674 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.49 72.44 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 118.72 -1.705 . . . . 0.0 109.702 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.04 -52.99 12.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -1.132 . . . . 0.0 110.584 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.636 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 48.6 t80 -60.02 -43.82 95.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.5 t80 -63.6 -48.52 77.01 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.906 0.86 . . . . 0.0 109.48 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -60.05 -40.81 90.7 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 120.25 -1.531 . . . . 0.0 109.88 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.78 -45.01 60.79 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.13 -0.981 . . . . 0.0 111.33 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -108.63 -9.56 15.28 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.928 -1.108 . . . . 0.0 111.78 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' TYR . 25.7 tt0 40.91 51.66 3.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.655 -1.278 . . . . 0.0 111.922 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -150.05 156.28 7.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 17.4 p-10 -85.6 124.34 32.04 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.613 -1.304 . . . . 0.0 110.649 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.636 ' NH1' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -90.0 126.29 57.78 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.285 -0.885 . . . . 0.0 109.346 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 45' ' ' THR . 16.1 Cg_exo -48.42 152.05 4.22 Favored 'Trans proline' 0 N--CA 1.487 1.12 0 CA-C-N 120.086 1.067 . . . . 0.0 111.252 178.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.65 29.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.376 -0.828 . . . . 0.0 111.084 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.87 -17.93 64.65 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.503 -1.373 . . . . 0.0 110.34 -179.357 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.538 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 89.2 mtp -105.83 -5.38 19.84 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.212 -0.93 . . . . 0.0 111.824 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.3 mmp_? -82.29 140.49 33.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.6 -1.313 . . . . 0.0 111.356 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -134.72 159.01 42.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -45.35 -83.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.12 -0.988 . . . . 0.0 110.122 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -173.17 16.04 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.19 150.83 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.172 -1.193 . . . . 0.0 109.521 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -79.25 149.73 31.77 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.43 162.61 36.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.65 -1.281 . . . . 0.0 111.25 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -151.73 162.04 41.67 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.534 0.683 . . . . 0.0 110.35 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 49.9 p-10 -50.63 144.97 7.29 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.532 ' CB ' HH11 ' A' ' 56' ' ' ARG . 0.0 OUTLIER -61.54 122.6 15.65 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.237 -0.914 . . . . 0.0 109.965 -178.494 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -61.54 -169.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 109.947 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.488 1.452 0 O-C-N 121.391 -0.818 . . . . 0.0 109.628 -179.592 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.698 0.761 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . 133.4 -22.59 3.93 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.59 -2.204 . . . . 0.0 107.59 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' CH2' ' A' ' 18' ' ' TRP . 13.2 m -47.96 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 15.5 m -63.28 140.26 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 120.105 -1.622 . . . . 0.0 110.976 -177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -60.17 122.89 15.56 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.679 0.752 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . 75.6 m -60.1 -40.06 88.32 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.648 -0.657 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.28 -38.74 30.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.763 -1.211 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -130.36 16.89 5.47 Favored 'General case' 0 N--CA 1.511 2.589 0 CA-C-N 120.446 1.475 . . . . 0.0 112.636 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 57.22 -2.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.885 -1.134 . . . . 0.0 113.918 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t -60.06 140.07 57.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.704 -1.873 . . . . 0.0 108.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -103.44 -9.88 19.02 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.3 p -99.33 119.98 38.82 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -147.1 151.23 36.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.262 -0.899 . . . . 0.0 109.518 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 p -75.45 -37.57 60.22 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 tp -147.83 132.58 17.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 5' ' ' THR . 42.1 m95 -81.58 131.68 35.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.035 -1.04 . . . . 0.0 109.976 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.69 HH21 HD22 ' A' ' 29' ' ' ASN . 19.9 mmt180 -117.01 123.23 46.39 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -88.8 86.75 7.03 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.006 -1.684 . . . . 0.0 107.887 178.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.76 157.85 0.03 OUTLIER Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 121.615 -0.678 . . . . 0.0 112.213 -177.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -49.14 -9.81 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.747 1.631 . . . . 0.0 113.614 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mtm -99.35 -13.64 19.52 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.076 -1.015 . . . . 0.0 109.919 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 27.22 15.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -105.41 143.64 27.2 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.097 -1.237 . . . . 0.0 108.556 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 8' ' ' SER . 37.1 Cg_endo -74.33 127.22 10.98 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 120.758 0.972 . . . . 0.0 113.305 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.35 156.66 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 O-C-N 121.282 -0.886 . . . . 0.0 108.689 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -81.47 151.86 27.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.617 -1.302 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.69 HD22 HH21 ' A' ' 19' ' ' ARG . 41.6 t-20 -46.81 -32.93 4.03 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.525 -0.734 . . . . 0.0 111.952 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.38 -47.98 37.74 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 120.516 -1.365 . . . . 0.0 110.798 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 m -58.69 -41.94 87.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.84 -1.162 . . . . 0.0 110.605 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.59 -46.18 94.4 Favored Glycine 0 N--CA 1.486 1.995 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.332 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -49.45 58.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.082 -1.246 . . . . 0.0 109.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 31.4 t80 -60.03 -45.48 92.66 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.888 -1.132 . . . . 0.0 109.878 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.2 -46.86 85.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.4 -0.812 . . . . 0.0 110.642 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.08 -42.22 94.16 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.16 -1.588 . . . . 0.0 110.766 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.57 -40.06 73.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.855 -1.153 . . . . 0.0 111.579 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -113.62 -9.86 13.18 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.924 -1.11 . . . . 0.0 112.091 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 tt0 41.18 54.8 3.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.578 -1.326 . . . . 0.0 111.685 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.9 154.17 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.091 . . . . 0.0 109.138 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -100.5 134.64 20.52 Favored Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.274 -0.891 . . . . 0.0 109.824 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.591 ' C ' ' H ' ' A' ' 45' ' ' THR . 12.2 Cg_exo -48.47 152.04 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 CA-C-N 119.94 1.014 . . . . 0.0 112.05 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.62 18.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.363 -0.835 . . . . 0.0 110.793 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 43' ' ' PRO . 32.6 p -67.13 -15.93 64.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.637 -1.289 . . . . 0.0 109.648 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.58 -5.28 39.56 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.116 -0.99 . . . . 0.0 109.552 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -80.35 126.39 31.1 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.813 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 19.2 ttmm -125.17 138.61 54.14 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 65.8 t0 -40.21 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.205 -0.934 . . . . 0.0 110.679 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.48 -175.02 21.69 Favored Glycine 0 N--CA 1.494 2.554 0 O-C-N 120.953 -1.092 . . . . 0.0 110.572 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.57 139.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -1.087 . . . . 0.0 108.986 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.59 149.1 44.27 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.81 46.38 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.746 -1.221 . . . . 0.0 110.54 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 54' ' ' ARG . 24.6 mmm-85 -145.81 167.44 23.19 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.521 0.677 . . . . 0.0 109.726 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.98 136.06 57.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 0.0 108.804 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -59.09 130.0 44.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 111.268 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -64.58 -169.68 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.77 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.307 -0.871 . . . . 0.0 109.5 -179.691 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.152 0.501 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.19 -9.98 65.03 Favored Glycine 0 N--CA 1.496 2.643 0 O-C-N 121.202 -0.936 . . . . 0.0 111.378 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -66.58 115.38 6.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.774 -1.427 . . . . 0.0 110.505 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.39 140.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -61.88 117.06 5.4 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.856 -1.152 . . . . 0.0 110.888 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.23 -40.0 88.69 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.812 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -74.52 -39.88 62.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.916 -1.115 . . . . 0.0 112.016 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.606 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.3 p -130.29 15.59 5.58 Favored 'General case' 0 N--CA 1.509 2.524 0 O-C-N 120.677 -1.264 . . . . 0.0 112.935 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' CYS . 66.2 mt-30 57.21 -1.79 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.774 -1.204 . . . . 0.0 113.157 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -62.4 151.99 35.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 119.918 -1.739 . . . . 0.0 108.982 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -127.92 6.21 6.03 Favored 'General case' 0 N--CA 1.511 2.617 0 O-C-N 121.052 -1.03 . . . . 0.0 109.215 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.535 ' O ' ' CG1' ' A' ' 51' ' ' ILE . 10.1 p -105.37 49.84 0.8 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.27 -0.893 . . . . 0.0 108.749 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.36 148.18 32.13 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.339 -0.851 . . . . 0.0 111.993 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.5 p -76.62 -39.88 51.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 tp -145.26 132.37 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.18 130.31 34.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.725 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.1 mmt180 -117.5 122.49 43.87 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 0.0 108.992 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -70.04 141.25 52.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 119.934 -1.729 . . . . 0.0 106.508 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -86.14 151.58 54.45 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 120.757 -1.214 . . . . 0.0 109.321 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -47.0 -24.67 3.38 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 121.05 1.166 . . . . 0.0 113.055 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 ptm -92.16 -14.64 28.78 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.168 -0.957 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 25.07 8.39 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.12 113.58 62.21 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.263 . . . . 0.0 109.146 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -48.96 135.58 29.25 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.146 1.088 . . . . 0.0 112.868 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.13 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.3 153.2 25.96 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.725 ' ND2' HH21 ' A' ' 19' ' ' ARG . 20.7 t-20 -38.58 -43.66 0.89 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.768 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -47.59 48.26 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.783 -1.198 . . . . 0.0 112.184 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.59 -46.13 91.16 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.442 -1.411 . . . . 0.0 109.582 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.78 -54.73 31.4 Favored Glycine 0 N--CA 1.485 1.966 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.317 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.75 -47.09 82.41 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.16 -1.2 . . . . 0.0 110.069 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.99 -45.17 93.61 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.596 -1.315 . . . . 0.0 110.323 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLN . 13.6 t80 -66.08 -46.91 76.02 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.729 0.776 . . . . 0.0 110.749 -178.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.04 -40.94 91.1 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 120.048 -1.658 . . . . 0.0 109.898 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -71.04 -40.67 71.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.999 -1.063 . . . . 0.0 111.375 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -117.82 0.98 12.08 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.936 -1.102 . . . . 0.0 112.065 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' TYR . 23.5 pt20 35.11 41.44 0.07 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.943 -1.098 . . . . 0.0 113.131 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.38 155.46 23.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -85.63 159.31 19.87 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.224 -0.922 . . . . 0.0 108.608 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' NH2' ' CZ ' ' A' ' 47' ' ' ARG . 1.1 ptt-85 -140.31 151.11 63.49 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 120.714 -1.241 . . . . 0.0 109.071 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -45.35 151.03 1.04 Allowed 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 120.614 0.876 . . . . 0.0 112.116 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 46' ' ' MET . 9.4 mp -79.06 -19.94 50.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.296 -0.878 . . . . 0.0 110.54 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 t -50.97 -7.33 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.09 -1.006 . . . . 0.0 109.693 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.557 ' H ' ' C ' ' A' ' 44' ' ' LEU . 24.1 ttt -76.51 -39.47 52.96 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 0.0 110.078 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.606 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -75.7 156.23 34.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.005 -178.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -104.24 -172.47 2.11 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.92 3.82 53.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 108.77 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.39 179.79 29.47 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 14' ' ' THR . 15.9 mt -85.95 139.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.701 -1.47 . . . . 0.0 108.464 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.93 144.2 31.11 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.087 0.946 . . . . 0.0 111.292 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.1 155.75 49.5 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 55' ' ' ASN . 9.2 tpt180 -151.32 163.42 38.94 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' H ' ' HG3' ' A' ' 54' ' ' ARG . 52.1 t30 -56.29 136.54 53.2 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -66.25 134.55 52.91 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.447 -0.783 . . . . 0.0 110.4 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -65.19 -169.67 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.109 -0.994 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.275 -0.891 . . . . 0.0 109.522 -179.225 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -10.06 62.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 121.179 -0.951 . . . . 0.0 111.273 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.74 111.82 4.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.755 -1.438 . . . . 0.0 110.388 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.82 140.75 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' GLN . 41.8 t -61.15 118.12 6.42 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.68 -1.262 . . . . 0.0 110.563 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -60.02 -39.96 87.63 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.097 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.24 -38.73 50.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.965 -1.084 . . . . 0.0 112.155 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.9 p -129.61 15.82 5.94 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.024 1.284 . . . . 0.0 112.946 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.6 mt-30 55.33 -1.88 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.621 -1.299 . . . . 0.0 113.543 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.408 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.0 t -62.49 150.35 40.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 119.994 -1.691 . . . . 0.0 108.364 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -123.93 4.01 8.72 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.073 -1.017 . . . . 0.0 109.305 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 11.1 p -102.76 51.45 0.8 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.375 -0.828 . . . . 0.0 109.895 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 145.94 31.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 0.0 111.632 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -74.35 -39.92 62.47 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.28 131.92 21.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -79.24 129.96 34.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.024 -1.047 . . . . 0.0 110.534 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -120.11 132.4 55.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.788 -0.57 . . . . 0.0 110.717 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -83.44 145.99 28.66 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.502 -1.374 . . . . 0.0 107.574 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 162.51 28.62 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.036 -1.04 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -50.9 -24.57 14.0 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.179 1.253 . . . . 0.0 113.304 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.14 -6.15 45.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.003 -1.061 . . . . 0.0 109.436 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.38 28.07 18.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -100.13 115.25 65.68 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.147 -1.208 . . . . 0.0 109.724 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -51.25 122.61 10.38 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.191 1.104 . . . . 0.0 112.286 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.99 160.02 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 O-C-N 121.609 -0.682 . . . . 0.0 110.087 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 20.9 p -81.38 154.08 26.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 108.773 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -49.71 -29.93 8.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.157 -0.964 . . . . 0.0 111.749 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.91 -50.95 15.1 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.493 -1.38 . . . . 0.0 110.803 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m -58.19 -44.65 88.18 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.535 -1.353 . . . . 0.0 109.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.9 -49.3 67.38 Favored Glycine 0 C--N 1.291 -1.941 0 C-N-CA 119.391 -1.385 . . . . 0.0 110.202 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.71 -48.96 62.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.105 -1.232 . . . . 0.0 109.607 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' OH ' ' NE ' ' A' ' 42' ' ' ARG . 64.4 t80 -60.03 -48.21 82.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.179 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.659 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.4 t80 -60.54 -46.07 91.52 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.739 0.781 . . . . 0.0 110.489 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.0 -40.77 90.36 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 120.1 -1.625 . . . . 0.0 110.093 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.55 -48.27 49.66 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.128 -0.982 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.68 -10.97 15.95 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.068 -1.02 . . . . 0.0 112.27 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.659 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.0 tt0 44.48 51.13 7.98 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.373 -1.454 . . . . 0.0 111.931 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.96 153.88 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 120.843 -1.16 . . . . 0.0 108.472 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 25.9 p30 -84.53 135.48 34.2 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -123.55 128.2 25.28 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.011 -1.055 . . . . 0.0 110.016 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.31 152.47 0.17 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.299 1.333 . . . . 0.0 114.086 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.4 mp -63.98 -9.99 18.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.811 -0.556 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' LEU . 44.4 p -45.12 -21.61 0.08 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.871 -1.143 . . . . 0.0 109.548 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.4 ttt -77.47 -42.71 34.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.481 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.625 ' NH2' ' SG ' ' A' ' 28' ' ' CYS . 26.1 mtt-85 -80.82 162.94 23.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 110.368 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -116.42 -160.14 0.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.494 0.664 . . . . 0.0 109.887 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.3 3.98 54.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.432 -0.792 . . . . 0.0 109.654 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.65 179.72 29.73 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 108.784 -1.727 . . . . 0.0 108.784 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.6 mt -87.15 132.75 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.866 -1.373 . . . . 0.0 108.7 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 142.32 48.24 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.537 -0.727 . . . . 0.0 109.543 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 158.45 44.32 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.565 -1.334 . . . . 0.0 109.708 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' NH1' ' CG ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -146.34 163.66 34.84 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.777 0.799 . . . . 0.0 110.383 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -55.23 139.29 42.77 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -58.37 123.17 15.21 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.542 -0.724 . . . . 0.0 109.696 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.8 -173.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.514 -0.741 . . . . 0.0 110.326 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.301 -1.532 0 O-C-N 121.607 -0.683 . . . . 0.0 109.201 179.808 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.304 0.573 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.69 -11.62 55.7 Favored Glycine 0 N--CA 1.499 2.871 0 O-C-N 121.257 -0.902 . . . . 0.0 111.874 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -64.12 116.41 5.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.561 -1.553 . . . . 0.0 110.025 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -121.95 142.26 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 12' ' ' THR . 20.0 t -60.51 116.78 4.58 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.703 -1.248 . . . . 0.0 110.751 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.669 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -79.17 -38.12 36.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 112.625 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.21 5.53 5.29 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 121.057 1.753 . . . . 0.0 113.68 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 57.05 46.21 19.65 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.288 -1.507 . . . . 0.0 112.503 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 13.3 t -101.85 148.31 25.47 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -120.39 9.8 11.06 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 121.105 1.775 . . . . 0.0 108.715 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 9.5 p -115.36 49.78 1.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.543 -0.723 . . . . 0.0 109.765 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.3 p -77.49 149.75 34.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.03 . . . . 0.0 111.591 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -78.82 -41.12 31.03 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -142.76 131.01 22.07 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -81.49 130.37 35.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.888 -1.133 . . . . 0.0 110.023 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.693 HH21 ' ND2' ' A' ' 29' ' ' ASN . 17.0 mmt180 -114.92 119.23 35.82 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.359 -0.838 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -70.02 142.86 52.7 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 159.83 37.87 Favored Pre-proline 0 N--CA 1.504 2.238 0 O-C-N 120.931 -1.106 . . . . 0.0 110.109 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.03 -21.55 12.66 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.002 1.135 . . . . 0.0 112.372 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.8 mtt -96.04 -12.9 24.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.0 109.915 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.66 26.32 13.5 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 6.0 m-20 -105.4 109.92 63.75 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.046 -1.267 . . . . 0.0 108.741 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.09 129.58 15.41 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 120.9 1.066 . . . . 0.0 113.523 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.81 162.01 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.526 0 O-C-N 121.532 -0.73 . . . . 0.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.4 p -83.67 155.99 22.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.989 -1.069 . . . . 0.0 111.465 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.693 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.6 t-20 -46.58 -33.61 4.28 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.855 -0.528 . . . . 0.0 111.234 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -54.38 7.77 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.907 -1.12 . . . . 0.0 110.738 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -55.83 -45.32 78.4 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.717 -1.239 . . . . 0.0 109.98 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -49.29 55.46 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 118.794 -1.669 . . . . 0.0 110.048 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.82 -49.58 29.48 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 110.223 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 60.8 t80 -59.99 -48.01 83.49 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.615 -1.303 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.1 t80 -61.02 -47.58 85.77 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.548 0.69 . . . . 0.0 109.817 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.01 -42.9 95.3 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.388 -1.445 . . . . 0.0 110.407 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.03 -40.0 75.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.034 -1.041 . . . . 0.0 111.592 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.43 -0.36 11.97 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 121.058 -1.026 . . . . 0.0 112.494 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.2 pt20 36.62 46.39 0.45 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.637 -1.289 . . . . 0.0 113.236 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.0 153.42 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.106 -0.996 . . . . 0.0 108.418 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 18.2 p30 -86.79 132.29 33.89 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.992 -1.068 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.596 ' NH1' ' CD1' ' A' ' 34' ' ' TYR . 8.7 ptm180 -104.94 150.67 38.97 Favored Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 121.142 -0.974 . . . . 0.0 110.209 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -60.49 151.45 75.01 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 121.371 1.381 . . . . 0.0 112.857 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 46' ' ' MET . 8.7 mp -72.95 -6.28 44.23 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.52 -0.738 . . . . 0.0 111.283 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 p -54.42 -9.91 0.35 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 109.441 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.478 ' H ' ' C ' ' A' ' 44' ' ' LEU . 17.8 ttt -91.79 -21.51 20.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 0.0 110.47 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -76.67 148.15 37.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.036 -1.04 . . . . 0.0 110.157 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -142.05 163.5 32.71 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.194 -0.941 . . . . 0.0 109.791 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.51 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.639 -0.663 . . . . 0.0 112.232 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.33 -171.7 13.06 Favored Glycine 0 N--CA 1.498 2.787 0 O-C-N 121.29 -0.882 . . . . 0.0 111.152 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.8 mt -91.26 147.26 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.645 -0.914 . . . . 0.0 109.758 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.58 144.0 46.2 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.735 . . . . 0.0 110.114 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.82 153.67 48.39 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.778 -1.201 . . . . 0.0 109.962 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.46 162.0 39.92 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.582 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.78 139.32 39.95 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' LYS . 91.9 mtt180 -67.4 134.76 52.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 109.866 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' ARG . 55.2 pttt -55.33 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.155 -0.965 . . . . 0.0 109.849 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.252 -0.905 . . . . 0.0 108.56 179.699 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.274 0.559 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 -12.8 39.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.57 119.97 9.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.115 -1.226 . . . . 0.0 110.739 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -122.51 141.69 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.9 t -66.86 118.27 10.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.47 -1.394 . . . . 0.0 110.803 -179.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.673 -0.642 . . . . 0.0 110.322 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.409 HD21 ' HB3' ' A' ' 31' ' ' CYS . 98.9 m-20 -75.97 -39.25 56.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.967 -1.083 . . . . 0.0 112.897 -177.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 p -129.27 15.18 6.16 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.597 1.544 . . . . 0.0 111.922 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' N ' ' CD ' ' A' ' 11' ' ' GLN . 26.1 mp0 56.85 2.0 0.09 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.947 -1.095 . . . . 0.0 113.392 177.109 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -64.41 149.96 47.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.943 -1.723 . . . . 0.0 108.845 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -111.02 -3.82 15.37 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.236 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 p -107.23 122.26 46.18 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 p -146.61 149.5 33.65 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.095 -1.003 . . . . 0.0 109.829 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tp -146.51 131.45 18.15 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.96 129.95 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.744 -1.223 . . . . 0.0 109.239 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.717 HH21 ' ND2' ' A' ' 29' ' ' ASN . 15.2 mmt180 -112.89 119.06 36.65 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.241 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 21' ' ' SER . 19.7 mmt180 -87.42 87.01 7.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.207 -1.558 . . . . 0.0 109.427 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -34.04 157.68 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.741 -0.599 . . . . 0.0 111.048 -178.777 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -57.08 -5.92 1.62 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.098 1.199 . . . . 0.0 112.773 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 tpp -95.7 -16.21 22.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.184 -0.948 . . . . 0.0 108.651 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.21 24.57 18.94 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.01 133.52 20.2 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 120.922 -1.34 . . . . 0.0 108.731 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.79 133.52 23.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 119.811 0.968 . . . . 0.0 113.411 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 160.3 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 O-C-N 121.47 -0.769 . . . . 0.0 109.126 177.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.11 154.61 24.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.597 -1.314 . . . . 0.0 109.298 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.717 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.3 t-20 -49.74 -32.68 14.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.254 -0.904 . . . . 0.0 110.721 -177.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -54.24 14.64 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.53 -1.356 . . . . 0.0 110.094 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' HD21 ' A' ' 9' ' ' ASN . 59.4 m -57.81 -45.54 85.97 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.884 -1.135 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.0 47.13 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.333 -1.413 . . . . 0.0 110.177 -178.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.13 -49.43 61.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -1.181 . . . . 0.0 110.38 -179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' CB ' ' NH1' ' A' ' 42' ' ' ARG . 22.0 t80 -60.18 -42.62 95.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.471 -1.393 . . . . 0.0 109.598 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.624 ' O ' ' N ' ' A' ' 39' ' ' GLN . 31.4 t80 -63.99 -49.96 70.42 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.638 0.732 . . . . 0.0 110.211 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.92 -39.92 87.09 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.257 -1.527 . . . . 0.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.04 -49.43 77.7 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.42 -1.425 . . . . 0.0 108.217 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 72.0 m-70 -101.58 -71.36 0.72 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.4 tt0 110.04 56.85 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.029 0 CA-C-O 122.015 0.912 . . . . 0.0 108.962 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.0 159.69 4.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 52.3 p-10 -75.66 151.12 37.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.909 -1.119 . . . . 0.0 109.43 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 34' ' ' TYR . 10.8 ptm180 -123.95 151.27 64.7 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.007 -1.058 . . . . 0.0 109.663 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.1 Cg_endo -61.85 150.7 84.96 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 120.822 1.014 . . . . 0.0 112.369 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.39 18.96 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.193 -0.942 . . . . 0.0 110.501 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 43' ' ' PRO . 21.2 p -66.09 -16.04 63.6 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.065 -1.022 . . . . 0.0 108.658 179.116 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 85.4 mmm -99.34 -5.1 30.26 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.533 -0.729 . . . . 0.0 109.53 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -80.57 125.47 30.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 110.828 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' ASP . 86.1 tttt -127.54 146.02 50.66 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' LYS . 21.7 t70 -41.79 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 110.62 -179.002 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.42 -169.96 36.21 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.389 -1.085 . . . . 0.0 110.389 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.92 139.98 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.976 . . . . 0.0 109.99 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.17 155.57 34.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.1 158.99 43.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.039 -1.038 . . . . 0.0 110.226 -179.286 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.594 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -151.25 167.32 28.21 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.99 139.04 28.91 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.274 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -71.91 137.07 47.14 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.688 0.756 . . . . 0.0 112.154 -177.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HZ1' ' CB ' ' A' ' 57' ' ' LYS . 2.7 ttmp? -44.86 157.86 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.746 -0.596 . . . . 0.0 109.447 178.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.807 -1.183 . . . . 0.0 108.121 179.301 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 -9.42 66.38 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.066 -1.022 . . . . 0.0 110.976 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -69.33 114.8 7.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.815 -1.403 . . . . 0.0 110.33 -179.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -118.58 141.76 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.8 t -60.05 118.81 6.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.74 -1.225 . . . . 0.0 111.216 -178.384 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -76.26 -38.91 55.6 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 120.985 -1.072 . . . . 0.0 111.825 -178.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -130.74 10.59 5.12 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.264 1.393 . . . . 0.0 112.975 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.0 mt-30 61.47 4.49 0.99 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 175.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -65.46 163.47 15.79 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.953 -1.717 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -135.37 15.74 3.44 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.027 178.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 28.0 p -120.36 48.48 1.58 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-O 121.882 0.848 . . . . 0.0 108.95 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 p -75.11 150.01 38.92 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 121.142 -0.974 . . . . 0.0 112.289 -176.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -75.0 -43.36 54.33 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.21 130.94 20.17 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -79.85 129.94 34.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 0.0 109.95 -179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.716 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.4 mmt180 -117.92 122.48 43.39 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 0.0 108.94 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -71.91 142.42 49.48 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 119.656 -1.903 . . . . 0.0 107.595 178.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -90.4 156.68 45.54 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.178 -0.951 . . . . 0.0 108.946 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -49.07 -22.79 5.5 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.037 1.158 . . . . 0.0 112.977 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.9 tpp -92.64 -10.22 38.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 109.606 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.9 26.42 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.3 m-20 -101.32 112.67 65.4 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.476 -1.014 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -50.4 139.11 37.69 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 CA-C-N 120.215 1.112 . . . . 0.0 113.209 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.8 161.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.37 0 O-C-N 121.472 -0.767 . . . . 0.0 109.651 178.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.49 154.69 23.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.881 -1.137 . . . . 0.0 109.577 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.716 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.4 t-20 -43.34 -40.79 3.77 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.798 -0.564 . . . . 0.0 112.178 -178.019 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.24 42.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.486 -1.384 . . . . 0.0 111.95 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 m -57.8 -43.36 85.61 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.646 -1.284 . . . . 0.0 110.514 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.0 -49.48 66.83 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 119.439 -1.363 . . . . 0.0 110.152 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' ' HZ2' ' A' ' 36' ' ' LYS . 70.1 mt -66.93 -48.12 69.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.276 -1.132 . . . . 0.0 110.184 -179.4 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.807 -1.183 . . . . 0.0 108.836 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.6 t80 -68.17 -50.22 55.9 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.71 -0.619 . . . . 0.0 111.499 -178.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HZ2' ' CD2' ' A' ' 33' ' ' LEU . 50.4 pttt -60.52 -39.67 88.64 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 119.774 -1.829 . . . . 0.0 110.116 -178.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.31 -42.01 96.56 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.013 -1.054 . . . . 0.0 111.784 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -123.02 -3.52 8.58 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.95 -1.094 . . . . 0.0 111.545 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.7 tt0 42.38 56.44 3.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.539 -1.351 . . . . 0.0 111.633 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.39 153.1 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.46 129.55 34.82 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.121 -0.987 . . . . 0.0 110.532 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' HH11 ' A' ' 42' ' ' ARG . 3.8 ttt-85 -104.45 133.17 20.34 Favored Pre-proline 0 N--CA 1.503 2.189 0 O-C-N 121.27 -0.894 . . . . 0.0 109.421 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.5 Cg_exo -48.35 152.46 3.79 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 120.954 1.103 . . . . 0.0 114.013 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.9 5.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.753 -0.592 . . . . 0.0 110.428 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 43' ' ' PRO . 64.5 p -60.91 -14.53 22.94 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 109.077 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.9 ttt -100.0 -7.78 24.68 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.576 -0.703 . . . . 0.0 109.343 -179.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -78.4 132.39 37.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.409 -0.807 . . . . 0.0 110.712 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -124.23 139.89 53.49 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -43.57 -86.29 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.119 -0.988 . . . . 0.0 110.32 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.95 -174.14 21.42 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 14' ' ' THR . 2.8 mt -91.07 142.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.262 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.97 153.79 30.07 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 165.22 27.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.979 -1.075 . . . . 0.0 111.165 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -149.57 163.15 38.64 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.995 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.87 138.79 57.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.26 -0.9 . . . . 0.0 108.808 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.81 130.33 43.74 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.354 -0.842 . . . . 0.0 110.36 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -58.73 -173.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.404 -0.81 . . . . 0.0 109.587 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--N 1.302 -1.484 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.682 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.222 0.534 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.36 -8.87 69.33 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 178.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.28 117.76 9.01 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.837 -1.39 . . . . 0.0 110.914 -178.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.62 140.76 43.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.1 t -63.91 117.59 7.2 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.367 -1.458 . . . . 0.0 109.339 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -60.89 -40.0 91.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.321 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -73.55 -39.22 64.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.005 -178.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 12' ' ' THR . 12.1 p -129.33 14.64 6.12 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.003 1.274 . . . . 0.0 112.23 -178.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.4 mm-40 55.08 -0.34 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.874 -1.141 . . . . 0.0 113.097 177.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.409 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.0 t -60.45 145.25 48.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 119.958 -1.714 . . . . 0.0 107.963 179.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.18 -6.9 15.4 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.377 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -101.77 120.13 39.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 p -144.49 146.96 32.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.127 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -73.2 -39.97 65.13 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -144.62 131.84 20.62 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -79.6 130.41 35.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.005 -1.059 . . . . 0.0 110.146 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.702 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.7 mmt180 -111.73 179.66 3.95 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.41 -0.806 . . . . 0.0 109.655 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -130.82 140.13 50.24 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.747 ' HG ' ' H ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -92.19 159.81 36.64 Favored Pre-proline 0 N--CA 1.504 2.242 0 O-C-N 120.828 -1.17 . . . . 0.0 109.376 179.854 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -53.94 -13.36 4.4 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 120.957 1.104 . . . . 0.0 112.089 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.747 ' H ' ' HG ' ' A' ' 21' ' ' SER . 36.5 ttm -98.85 -11.34 21.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.427 -0.796 . . . . 0.0 109.66 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.74 27.87 15.74 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.5 m-20 -102.25 114.01 65.63 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.196 -1.179 . . . . 0.0 109.258 179.716 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -48.95 137.04 28.71 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 CA-C-N 120.041 1.05 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.89 159.8 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.505 -0.747 . . . . 0.0 110.156 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 p -84.14 155.26 22.68 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.795 -1.19 . . . . 0.0 110.032 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.702 ' ND2' HH21 ' A' ' 19' ' ' ARG . 43.0 t-20 -45.04 -35.06 2.78 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.353 -0.842 . . . . 0.0 111.412 -178.042 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.22 16.93 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.855 -1.153 . . . . 0.0 111.555 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.5 m -57.84 -41.56 82.57 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.577 -1.327 . . . . 0.0 110.549 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.94 73.12 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 119.069 -1.538 . . . . 0.0 110.677 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.9 -45.43 70.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.983 -1.304 . . . . 0.0 109.563 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.0 -49.33 78.11 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.942 -1.099 . . . . 0.0 108.939 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.6 t80 -64.18 -47.78 78.51 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.532 0.682 . . . . 0.0 110.539 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.93 -41.85 92.7 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.215 -1.553 . . . . 0.0 110.025 -178.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.15 -39.94 75.07 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.163 -0.96 . . . . 0.0 111.684 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' GLN . 88.7 m-70 -121.54 5.35 10.11 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.943 -1.098 . . . . 0.0 112.286 -178.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER 30.41 48.72 0.06 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.045 -1.034 . . . . 0.0 113.44 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.95 150.73 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 108.814 178.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.07 135.31 34.46 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.771 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.21 149.99 50.52 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.912 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -43.4 152.7 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.159 1.24 . . . . 0.0 113.172 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 46' ' ' MET . 8.0 mp -82.16 4.39 23.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 109.678 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 p -55.03 -6.43 0.13 Allowed 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.549 -0.719 . . . . 0.0 109.526 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -90.43 -18.22 25.8 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.174 -0.954 . . . . 0.0 110.686 -179.532 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 137.7 36.49 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.871 -1.143 . . . . 0.0 111.203 -178.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 50' ' ' GLY . 52.4 mtpt -128.67 151.31 49.66 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -52.23 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 112.255 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.78 175.28 32.15 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 120.363 -1.461 . . . . 0.0 110.228 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.32 134.39 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.291 . . . . 0.0 108.018 178.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.95 148.69 48.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.78 155.02 48.52 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.727 -1.233 . . . . 0.0 110.273 -179.47 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -150.94 165.71 32.85 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.227 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -52.89 139.44 27.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -62.43 130.02 43.3 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.822 0.82 . . . . 0.0 112.079 -177.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -43.64 162.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.869 -0.52 . . . . 0.0 109.68 178.77 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 57' ' ' LYS . 53.9 t . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.284 0.564 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.32 -22.64 6.03 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.363 -0.836 . . . . 0.0 112.152 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -68.57 113.64 6.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.566 -1.55 . . . . 0.0 110.754 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -119.22 141.14 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 46.2 t -63.62 119.19 9.39 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.774 -1.204 . . . . 0.0 110.505 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -59.98 -40.02 87.69 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.706 -0.621 . . . . 0.0 110.399 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -74.67 -39.8 61.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.849 -1.157 . . . . 0.0 112.148 -177.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.9 p -130.1 9.47 5.28 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.638 -1.289 . . . . 0.0 112.355 -178.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 18.2 tt0 61.66 0.03 0.45 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.573 -1.329 . . . . 0.0 112.498 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -61.25 142.35 56.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 119.756 -1.84 . . . . 0.0 108.739 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -105.11 -8.6 18.33 Favored 'General case' 0 N--CA 1.508 2.449 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.0 p -100.78 121.18 41.25 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -147.16 150.85 35.76 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.069 -1.019 . . . . 0.0 109.974 -179.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -77.43 -39.07 48.16 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 177.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tp -146.7 131.59 18.1 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.45 -0.782 . . . . 0.0 108.983 178.476 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -80.3 129.47 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.735 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.5 mmt180 -115.25 119.11 35.23 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.053 -1.029 . . . . 0.0 109.334 -179.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.26 141.08 55.99 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.065 -1.647 . . . . 0.0 106.648 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.66 156.19 45.22 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.0 -1.063 . . . . 0.0 109.262 -179.351 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.01 -22.15 7.32 Favored 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 120.766 0.977 . . . . 0.0 112.637 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmt -91.43 -10.61 40.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.106 -0.996 . . . . 0.0 110.06 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.21 30.74 10.52 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -110.11 112.16 57.73 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.399 -1.059 . . . . 0.0 109.451 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.92 133.28 39.83 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 CA-C-N 120.093 1.069 . . . . 0.0 113.303 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 m -136.42 160.16 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.419 0 O-C-N 121.681 -0.637 . . . . 0.0 109.483 178.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.71 155.75 24.14 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.945 -1.097 . . . . 0.0 109.6 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.735 ' ND2' HH21 ' A' ' 19' ' ' ARG . 30.2 t-20 -45.44 -41.82 9.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.589 -0.694 . . . . 0.0 111.425 -178.391 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.43 29.32 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.824 -1.173 . . . . 0.0 110.927 -178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -58.49 -43.31 88.96 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.804 -1.185 . . . . 0.0 109.954 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.06 20.4 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.339 -1.41 . . . . 0.0 110.07 -178.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.53 -50.37 71.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.512 -0.993 . . . . 0.0 111.336 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.585 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 50.0 t80 -60.75 -43.53 97.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.775 -1.203 . . . . 0.0 109.871 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.2 t80 -61.69 -48.85 78.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.139 -0.976 . . . . 0.0 109.538 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -43.31 95.1 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 120.015 -1.678 . . . . 0.0 110.108 -179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.78 -42.02 70.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.981 -1.074 . . . . 0.0 111.553 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 25.2 m-70 -112.96 -13.81 13.08 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.978 -1.076 . . . . 0.0 111.847 -177.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' TYR . 40.2 tt0 44.72 58.34 3.99 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.532 -1.355 . . . . 0.0 111.715 179.15 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.69 149.81 13.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.77 137.75 32.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.308 -0.87 . . . . 0.0 108.796 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -120.54 151.3 53.81 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -178.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.0 Cg_endo -62.45 152.86 74.71 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 121.472 1.448 . . . . 0.0 113.66 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD2' HH11 ' A' ' 47' ' ' ARG . 11.0 mp -65.0 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.519 -0.738 . . . . 0.0 111.096 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.554 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.2 t -69.91 -17.42 63.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.884 -1.135 . . . . 0.0 109.298 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -100.15 -2.3 34.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.17 -0.956 . . . . 0.0 109.499 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 HH11 ' CD2' ' A' ' 44' ' ' LEU . 73.5 ttt180 -77.69 129.57 35.7 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.427 -0.795 . . . . 0.0 110.404 -179.063 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -130.5 155.49 46.39 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.67 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.82 -1.175 . . . . 0.0 110.794 -178.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.13 -171.82 35.9 Favored Glycine 0 N--CA 1.497 2.722 0 O-C-N 120.934 -1.104 . . . . 0.0 111.164 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.98 146.13 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.546 -0.973 . . . . 0.0 109.346 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.4 155.7 27.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.512 -0.742 . . . . 0.0 109.225 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.19 158.52 44.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 109.706 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -149.93 155.63 40.32 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -55.42 138.38 46.15 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.044 -1.035 . . . . 0.0 108.48 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.92 129.49 41.18 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.306 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.1 -171.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.834 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 -179.785 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.365 0.602 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -10.13 51.69 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -66.19 118.53 10.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.913 -1.345 . . . . 0.0 110.095 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -119.13 137.75 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.9 t -60.1 119.42 7.8 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.664 -1.273 . . . . 0.0 110.063 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -59.96 -40.03 87.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.726 -0.609 . . . . 0.0 110.289 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.76 -39.48 51.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 113.142 -177.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.53 11.28 5.76 Favored 'General case' 0 N--CA 1.509 2.499 0 CA-C-N 120.357 1.435 . . . . 0.0 111.881 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' CYS . 13.6 mp0 59.76 0.41 0.24 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 112.987 177.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -60.34 142.25 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.032 -1.668 . . . . 0.0 107.961 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -106.12 -9.16 17.09 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -99.34 119.69 38.36 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 p -143.75 146.35 33.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 109.488 -179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 p -77.35 -40.61 43.41 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -144.46 128.31 17.36 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.81 130.57 35.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.776 -1.203 . . . . 0.0 109.552 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.659 HH21 ' ND2' ' A' ' 29' ' ' ASN . 17.0 mmt180 -115.34 119.16 35.35 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.171 -0.955 . . . . 0.0 109.891 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.46 141.94 53.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 119.881 -1.762 . . . . 0.0 106.733 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 159.17 38.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 -178.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.59 -23.7 15.53 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.678 1.585 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.14 -11.75 29.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.264 -0.898 . . . . 0.0 109.111 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.73 32.92 7.73 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -109.89 110.92 58.91 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.126 -1.22 . . . . 0.0 109.385 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.23 130.28 24.2 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 120.766 0.977 . . . . 0.0 113.663 -179.251 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.57 161.19 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.757 -0.589 . . . . 0.0 109.672 178.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.89 157.83 22.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.892 -1.13 . . . . 0.0 110.372 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.659 ' ND2' HH21 ' A' ' 19' ' ' ARG . 40.9 t-20 -48.56 -33.98 10.63 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.38 -0.825 . . . . 0.0 111.762 -177.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.42 -52.04 15.13 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.391 -1.443 . . . . 0.0 111.013 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.3 m -57.06 -46.24 82.61 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.75 -50.1 55.46 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.465 -1.35 . . . . 0.0 110.557 -177.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -70.04 -47.99 59.75 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.214 -1.168 . . . . 0.0 110.781 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.14 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.726 -1.234 . . . . 0.0 109.446 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.3 t80 -64.99 -46.91 79.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.516 0.674 . . . . 0.0 111.102 -178.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -58.79 -43.33 90.47 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.109 -1.619 . . . . 0.0 111.157 -178.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.97 -40.43 75.37 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.913 -1.117 . . . . 0.0 111.819 -178.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' GLN . 60.4 m-70 -117.8 3.96 12.24 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.032 -1.043 . . . . 0.0 111.843 -177.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.631 ' N ' ' O ' ' A' ' 35' ' ' TYR . 20.3 pt20 32.27 43.54 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.936 -1.102 . . . . 0.0 113.227 178.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.55 154.57 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 108.815 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -85.31 150.16 24.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.716 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.16 150.27 73.72 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 120.953 -1.092 . . . . 0.0 109.892 -178.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' C ' ' H ' ' A' ' 45' ' ' THR . 17.3 Cg_exo -46.47 153.14 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.092 1.195 . . . . 0.0 113.702 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' ' HE ' ' A' ' 47' ' ' ARG . 11.1 mp -75.79 31.78 0.11 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.515 -0.741 . . . . 0.0 109.376 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.465 ' H ' ' C ' ' A' ' 43' ' ' PRO . 11.5 t -66.84 -12.43 59.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.0 110.201 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.7 mtt -99.31 -17.6 17.97 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.965 -1.084 . . . . 0.0 110.271 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.469 HH22 ' NE ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -81.19 129.28 34.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.079 -1.013 . . . . 0.0 111.312 -178.371 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 17.4 tptp -130.36 -140.24 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.48 ' H ' ' CG ' ' A' ' 48' ' ' LYS . 21.8 m-20 -93.34 -87.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.103 -0.998 . . . . 0.0 109.068 179.011 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.36 -166.67 29.83 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.94 136.8 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.486 -1.008 . . . . 0.0 110.237 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.72 150.01 43.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 158.07 45.12 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.559 -1.338 . . . . 0.0 110.68 -179.075 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -145.57 162.5 37.3 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.878 0.847 . . . . 0.0 110.125 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.36 141.36 56.37 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.546 0.689 . . . . 0.0 110.467 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -66.96 130.43 43.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.021 179.808 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -54.78 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.794 . . . . 0.0 109.694 179.037 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.304 -1.397 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.655 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.323 0.582 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -4.54 83.29 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.333 -0.854 . . . . 0.0 111.356 178.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -67.42 119.2 11.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.921 -1.34 . . . . 0.0 111.384 -178.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 m -121.05 141.57 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -63.68 119.66 10.32 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.51 -1.369 . . . . 0.0 110.93 -178.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -60.02 -39.17 84.92 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.809 -0.557 . . . . 0.0 109.735 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -76.63 -39.35 52.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.951 -1.093 . . . . 0.0 112.257 -178.088 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 p -130.18 13.34 5.64 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 120.278 1.399 . . . . 0.0 112.519 -178.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.7 mp0 56.92 2.07 0.1 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.879 -1.138 . . . . 0.0 113.71 176.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -61.72 158.63 15.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 119.999 -1.688 . . . . 0.0 107.837 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 p -135.54 16.22 3.39 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 120.901 -1.125 . . . . 0.0 109.011 178.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.5 p -117.33 48.96 1.25 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -80.06 150.62 30.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.053 -1.03 . . . . 0.0 111.143 -176.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.521 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 41.5 p -79.96 -34.84 38.37 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 177.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.521 ' N ' ' HG1' ' A' ' 16' ' ' THR . 3.9 tp -142.91 130.44 21.23 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -83.11 126.95 33.14 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.985 -1.072 . . . . 0.0 109.478 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 19' ' ' ARG . 1.5 mmt-85 -115.62 125.88 53.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.78 -179.293 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -79.23 143.61 35.15 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 155.26 44.04 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 120.969 -1.082 . . . . 0.0 109.888 -178.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -48.91 -25.05 8.04 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.209 1.273 . . . . 0.0 113.089 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mtp -90.89 -12.63 35.58 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.193 -0.942 . . . . 0.0 109.641 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.91 24.16 13.74 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.88 114.44 65.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.277 -1.131 . . . . 0.0 109.093 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -49.35 131.4 27.16 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 CA-C-N 120.125 1.08 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.28 159.28 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.24 -0.913 . . . . 0.0 110.415 178.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.62 154.72 26.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -49.67 -35.94 23.27 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.12 -0.987 . . . . 0.0 110.287 -177.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -58.82 5.16 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.146 -0.971 . . . . 0.0 110.913 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.8 m -55.09 -42.84 73.36 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.773 -1.204 . . . . 0.0 109.777 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.76 -44.27 91.74 Favored Glycine 0 C--N 1.29 -2.0 0 C-N-CA 118.991 -1.576 . . . . 0.0 109.852 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -72.03 -53.26 13.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -1.174 . . . . 0.0 110.579 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.94 -46.62 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.991 -1.068 . . . . 0.0 109.629 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.0 t80 -60.02 -44.18 94.78 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 109.739 -178.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.05 -43.47 95.35 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.292 -1.505 . . . . 0.0 109.386 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -72.28 -41.74 66.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 111.928 -179.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -113.6 -8.55 13.3 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.887 -1.133 . . . . 0.0 112.202 -176.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.623 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.4 pt20 38.53 50.3 1.53 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.563 -1.336 . . . . 0.0 112.847 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -142.51 150.41 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 31.4 p-10 -86.44 134.78 33.67 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.119 -0.988 . . . . 0.0 109.541 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -111.42 151.49 43.28 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.254 -0.904 . . . . 0.0 108.93 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.1 Cg_endo -60.7 153.61 60.92 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 121.67 1.58 . . . . 0.0 113.593 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.65 7.06 0.05 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 110.107 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 43' ' ' PRO . 24.2 p -63.75 -12.29 33.8 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.94 -1.1 . . . . 0.0 108.793 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -10.48 26.87 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.983 0.896 . . . . 0.0 108.594 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.53 129.11 36.7 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.506 0.67 . . . . 0.0 109.956 -178.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -123.72 137.96 54.61 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -43.5 -87.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 110.546 -178.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.6 -177.42 27.44 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -92.78 146.21 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.332 -1.099 . . . . 0.0 110.161 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -81.31 148.28 29.48 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.02 166.91 22.91 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.696 -1.252 . . . . 0.0 109.815 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.84 161.42 42.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.409 -0.807 . . . . 0.0 110.668 -178.524 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.68 139.94 52.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.818 . . . . 0.0 109.078 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HG2' HH11 ' A' ' 56' ' ' ARG . 5.4 mmt-85 -65.85 132.89 49.76 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 110.927 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -77.26 159.95 29.24 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.211 -0.931 . . . . 0.0 110.04 -179.269 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 121.295 0.569 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.64 -10.03 60.63 Favored Glycine 0 N--CA 1.495 2.597 0 C-N-CA 120.327 -0.939 . . . . 0.0 110.991 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -69.74 111.83 5.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.724 -1.456 . . . . 0.0 110.078 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.88 140.48 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.3 t -59.94 118.14 5.89 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.554 -1.341 . . . . 0.0 109.545 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -59.93 -39.97 87.32 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.618 -0.676 . . . . 0.0 109.699 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.2 -38.59 60.7 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.937 -1.102 . . . . 0.0 111.495 -178.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.614 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.6 p -131.74 17.63 4.73 Favored 'General case' 0 N--CA 1.511 2.622 0 CA-C-N 120.266 1.394 . . . . 0.0 113.133 -178.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 40.8 tp60 54.47 -4.01 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.522 -1.361 . . . . 0.0 113.381 176.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' CYS . 12.6 t -57.0 140.02 50.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 119.428 -2.045 . . . . 0.0 108.561 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.1 p -104.03 -9.23 18.97 Favored 'General case' 0 N--CA 1.512 2.67 0 O-C-N 121.091 -1.006 . . . . 0.0 108.439 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -102.99 122.61 44.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 p -146.52 148.93 32.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.228 -0.92 . . . . 0.0 109.412 -179.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -72.12 -40.42 68.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 178.185 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 tp -145.5 131.72 19.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.143 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -78.35 128.37 33.57 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.025 -1.047 . . . . 0.0 108.955 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' NH1' HD21 ' A' ' 29' ' ' ASN . 3.6 mmt-85 -112.46 -179.53 3.69 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.578 0.704 . . . . 0.0 109.272 179.292 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -130.54 140.53 50.48 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.35 159.97 38.07 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.96 -20.27 17.72 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.368 1.379 . . . . 0.0 112.618 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -8.95 51.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.052 -1.03 . . . . 0.0 109.923 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 27.23 19.22 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.04 118.46 59.18 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.67 -0.9 . . . . 0.0 109.93 -179.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -51.81 132.64 42.62 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 119.967 1.024 . . . . 0.0 111.886 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.58 159.95 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.339 -0.85 . . . . 0.0 110.813 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.62 153.27 25.52 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.484 HD21 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -47.6 -37.68 12.99 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.086 -1.009 . . . . 0.0 112.378 -176.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.19 -50.18 61.9 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.493 -1.379 . . . . 0.0 111.489 -178.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.1 m -58.84 -42.83 90.21 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.572 -1.33 . . . . 0.0 111.179 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.39 -46.97 91.28 Favored Glycine 0 C--N 1.29 -1.992 0 C-N-CA 119.055 -1.545 . . . . 0.0 110.363 -177.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -69.13 -51.96 33.08 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.341 -1.093 . . . . 0.0 110.238 -179.355 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -60.02 -44.49 94.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.568 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.67 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.1 t80 -64.1 -47.72 78.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.257 -0.902 . . . . 0.0 109.731 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -60.06 -40.83 90.81 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.118 -1.614 . . . . 0.0 110.638 -179.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.14 -40.0 75.04 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.731 -1.231 . . . . 0.0 111.419 -179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -116.51 -4.61 11.74 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.977 -1.077 . . . . 0.0 112.01 -178.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.67 ' N ' ' O ' ' A' ' 35' ' ' TYR . 60.1 tt0 39.74 51.19 2.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.595 -1.315 . . . . 0.0 111.666 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -147.83 154.58 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -86.06 138.8 31.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 109.29 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 11.8 ptt180 -119.0 150.1 48.06 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 121.142 -0.974 . . . . 0.0 109.551 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.7 148.24 66.42 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 120.917 1.078 . . . . 0.0 112.719 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -69.93 -19.81 63.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.529 -0.732 . . . . 0.0 110.969 -179.248 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 81.4 p -44.15 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.366 -0.834 . . . . 0.0 110.136 -178.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.541 ' N ' ' O ' ' A' ' 44' ' ' LEU . 25.3 ttt -80.27 -39.16 29.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.993 -1.067 . . . . 0.0 110.937 -179.178 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.614 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -76.24 164.46 26.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.331 -0.856 . . . . 0.0 110.28 -179.157 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -134.16 159.5 40.68 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.05 -83.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.278 -0.889 . . . . 0.0 110.993 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.67 -173.99 11.77 Favored Glycine 0 N--CA 1.497 2.744 0 O-C-N 120.92 -1.113 . . . . 0.0 110.672 -178.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.3 138.44 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.299 -1.118 . . . . 0.0 109.321 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -77.44 149.26 35.1 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -141.32 156.74 45.82 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.74 -1.225 . . . . 0.0 110.837 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -141.04 165.71 26.8 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.36 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -60.02 136.0 57.88 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -61.76 129.98 43.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 110.444 -178.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -60.93 -179.83 0.15 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.386 -0.821 . . . . 0.0 110.019 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.417 -0.802 . . . . 0.0 109.327 -179.88 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.434 0.635 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -12.44 34.14 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -70.04 113.93 7.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.813 -1.404 . . . . 0.0 110.166 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.65 141.53 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.204 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' GLN . 39.5 t -58.38 117.78 4.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.556 -1.34 . . . . 0.0 109.849 -179.545 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -60.0 -38.49 82.79 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.679 -0.638 . . . . 0.0 109.847 179.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.22 -37.94 32.06 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.965 -1.085 . . . . 0.0 112.058 -177.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -129.05 16.36 6.21 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 120.638 1.563 . . . . 0.0 113.008 -178.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' CYS . 34.7 tt0 59.04 -4.16 0.08 Allowed 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 175.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -58.8 150.96 22.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 119.21 -2.181 . . . . 0.0 109.062 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -130.12 18.79 5.46 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 120.988 -1.07 . . . . 0.0 108.52 178.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.2 p -123.86 48.9 1.81 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -78.28 153.04 32.16 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.195 -0.941 . . . . 0.0 111.353 -176.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.568 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 82.3 p -77.41 -39.81 45.76 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' HG1' ' A' ' 16' ' ' THR . 6.7 tp -142.16 132.56 25.09 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.44 128.34 33.47 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.142 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' NH1' HD21 ' A' ' 29' ' ' ASN . 4.3 mmt-85 -116.95 130.95 57.03 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.706 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.8 mmt-85 -83.48 146.18 28.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.382 -1.449 . . . . 0.0 107.121 178.403 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 159.89 36.84 Favored Pre-proline 0 N--CA 1.504 2.256 0 O-C-N 120.829 -1.17 . . . . 0.0 109.907 -179.428 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.53 -23.86 8.32 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.341 1.361 . . . . 0.0 112.82 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.5 mtt -91.07 -9.16 46.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.127 -0.983 . . . . 0.0 109.849 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.27 24.84 25.58 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -179.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.77 117.24 62.08 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.41 -1.053 . . . . 0.0 109.46 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -50.13 126.25 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.261 1.129 . . . . 0.0 113.055 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.07 159.34 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 O-C-N 121.445 -0.784 . . . . 0.0 109.734 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -82.37 153.45 25.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.946 . . . . 0.0 109.527 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.509 HD21 ' NH1' ' A' ' 19' ' ' ARG . 27.7 t-20 -49.98 -29.98 9.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -0.871 . . . . 0.0 111.293 -177.191 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -53.41 12.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.701 -1.249 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.43 -42.57 87.55 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.644 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.86 -48.61 65.8 Favored Glycine 0 C--N 1.292 -1.902 0 C-N-CA 118.837 -1.649 . . . . 0.0 109.734 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.01 -52.44 24.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.212 -1.169 . . . . 0.0 110.918 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 32.3 t80 -60.01 -44.04 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.774 -1.204 . . . . 0.0 109.671 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.4 t80 -61.87 -46.35 89.79 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 -179.038 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.94 -42.1 93.28 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 119.988 -1.695 . . . . 0.0 110.307 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.29 -43.35 67.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.926 -1.108 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -111.77 -3.22 15.03 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.05 -1.031 . . . . 0.0 112.165 -177.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.8 pt20 37.78 44.88 0.61 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.427 -1.421 . . . . 0.0 112.998 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.76 157.15 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 14.5 p-10 -84.21 127.3 33.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.984 -1.073 . . . . 0.0 109.478 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -100.71 133.33 21.26 Favored Pre-proline 0 N--CA 1.498 1.968 0 O-C-N 121.182 -0.949 . . . . 0.0 110.275 -178.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.2 Cg_exo -51.02 152.11 10.79 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 119.923 1.008 . . . . 0.0 112.667 179.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.91 15.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.424 -0.798 . . . . 0.0 110.05 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.469 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.2 p -50.04 -26.13 4.06 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 110.465 -178.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.5 ptm -107.82 -2.9 19.52 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.033 -1.042 . . . . 0.0 110.923 -178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.28 148.06 28.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.27 172.3 15.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.909 . . . . 0.0 109.524 179.75 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.82 -76.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.167 -0.958 . . . . 0.0 111.572 -177.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.55 171.59 37.01 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.2 mt -92.57 146.33 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.52 -0.988 . . . . 0.0 109.627 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.14 147.05 30.24 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.408 ' HG1' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -134.8 159.46 41.28 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.104 -0.997 . . . . 0.0 109.093 179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.5 163.7 37.79 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.586 -0.697 . . . . 0.0 109.836 -178.813 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.39 138.25 57.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.405 -0.809 . . . . 0.0 109.602 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.56 132.39 49.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.499 -0.75 . . . . 0.0 109.94 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -68.27 -172.41 0.32 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.505 -0.747 . . . . 0.0 109.976 -179.433 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.26 0.552 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 -10.39 64.67 Favored Glycine 0 N--CA 1.496 2.669 0 O-C-N 121.203 -0.936 . . . . 0.0 110.976 178.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.54 117.61 9.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.311 . . . . 0.0 110.199 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.49 140.93 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.7 t -62.75 118.57 7.88 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.563 -1.335 . . . . 0.0 109.879 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 m -61.66 -40.01 93.42 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.465 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.46 -39.57 58.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.134 -178.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -128.66 8.13 5.8 Favored 'General case' 0 N--CA 1.512 2.659 0 CA-C-N 120.32 1.418 . . . . 0.0 112.762 -178.063 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' CYS . 41.6 tt0 63.63 -1.28 0.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.561 -1.337 . . . . 0.0 113.544 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -61.48 143.99 54.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.549 -1.969 . . . . 0.0 108.651 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.7 p -108.42 -5.84 16.47 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -101.85 119.54 38.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -146.44 150.61 35.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.056 -1.028 . . . . 0.0 110.235 -179.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.559 ' HG1' HD21 ' A' ' 29' ' ' ASN . 34.8 p -78.66 -38.98 38.16 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.262 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -143.75 131.41 21.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.038 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -81.75 128.85 34.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.889 -1.132 . . . . 0.0 109.014 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.755 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.4 mmt180 -111.62 178.33 4.36 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.266 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -130.83 140.11 50.22 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 159.4 39.33 Favored Pre-proline 0 N--CA 1.502 2.146 0 O-C-N 120.753 -1.217 . . . . 0.0 109.449 -179.4 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.0 -20.29 6.96 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.654 1.569 . . . . 0.0 113.633 -179.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -96.48 -5.92 38.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.839 -1.163 . . . . 0.0 109.885 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.44 17.04 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.32 114.92 65.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.22 -1.165 . . . . 0.0 109.911 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -49.88 134.84 35.63 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 CA-C-N 120.036 1.049 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.07 158.01 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -83.16 160.09 21.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.919 -1.113 . . . . 0.0 110.675 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.755 ' ND2' HH21 ' A' ' 19' ' ' ARG . 48.2 t-20 -44.48 -49.99 9.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.858 -0.526 . . . . 0.0 111.829 -178.433 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.75 70.14 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -59.97 -41.18 91.39 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.6 -1.313 . . . . 0.0 110.136 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.17 65.59 Favored Glycine 0 N--CA 1.487 2.054 0 C-N-CA 118.944 -1.598 . . . . 0.0 109.888 -178.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.41 -48.94 68.44 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 109.859 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -60.06 -43.0 95.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.338 -179.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -67.26 -49.1 65.69 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.532 -0.73 . . . . 0.0 109.797 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.98 -40.41 89.01 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.21 -1.556 . . . . 0.0 109.982 -179.525 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.11 -40.38 71.52 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 111.483 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -118.59 3.84 11.72 Favored 'General case' 0 N--CA 1.512 2.632 0 O-C-N 120.868 -1.145 . . . . 0.0 112.049 -178.121 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 15.9 pt20 35.05 40.12 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.724 -1.235 . . . . 0.0 113.552 179.314 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.12 155.09 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 p-10 -81.95 128.07 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.101 -1.0 . . . . 0.0 110.468 -178.571 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -89.48 150.99 45.54 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.347 -0.846 . . . . 0.0 109.771 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 45' ' ' THR . 18.8 Cg_endo -68.25 149.9 76.19 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 120.677 0.918 . . . . 0.0 111.024 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.65 5.78 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.861 -1.149 . . . . 0.0 110.611 -179.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 43' ' ' PRO . 5.0 t -60.83 -14.93 24.94 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.678 -1.264 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 71.5 mmm -99.83 -5.79 27.93 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.277 -0.89 . . . . 0.0 109.666 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' NH1' ' HG2' ' A' ' 47' ' ' ARG . 40.5 ttt-85 -80.25 127.21 32.08 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 110.262 -178.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 43.6 mmtm -122.38 140.34 52.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.308 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' LYS . 26.2 t70 -41.21 -87.01 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.18 -0.95 . . . . 0.0 110.655 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.97 -173.9 25.65 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.22 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.33 138.65 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 121.296 -1.12 . . . . 0.0 108.944 178.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -74.98 150.59 38.96 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.32 47.13 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.802 -1.186 . . . . 0.0 109.77 -179.474 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -150.21 167.0 28.18 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.16 143.69 32.32 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.931 0.872 . . . . 0.0 109.998 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 56' ' ' ARG . 17.1 mmt-85 -62.41 125.61 24.51 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.464 0.649 . . . . 0.0 112.223 -177.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 29.6 ttpt -49.19 169.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 61.2 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 120.88 -1.137 . . . . 0.0 109.263 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 120.905 0.383 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.92 -9.07 70.32 Favored Glycine 0 N--CA 1.506 3.338 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -63.16 120.47 11.55 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.753 -1.439 . . . . 0.0 110.077 -178.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.2 142.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.6 t -68.34 117.87 10.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.827 -1.17 . . . . 0.0 110.276 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -59.99 -40.34 88.86 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.285 -0.884 . . . . 0.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.79 -39.43 56.96 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.426 -1.421 . . . . 0.0 112.457 -178.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 p -128.47 12.36 6.43 Favored 'General case' 0 N--CA 1.515 2.791 0 CA-C-N 120.739 1.608 . . . . 0.0 112.546 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.9 mt-30 57.05 2.99 0.12 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.512 -1.367 . . . . 0.0 114.225 176.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.51 ' CA ' ' HE ' ' A' ' 47' ' ' ARG . 11.9 t -64.65 147.29 53.27 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.346 -1.471 . . . . 0.0 107.823 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.5 p -107.68 -7.69 16.34 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.097 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 p -99.26 119.27 37.63 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -145.43 150.17 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.127 -0.983 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -78.31 -40.51 36.53 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.205 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -144.69 128.45 17.27 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -75.99 130.01 37.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.828 -1.17 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 19' ' ' ARG . 1.2 mmt-85 -117.88 127.17 53.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 -179.03 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 20' ' ' ARG . 30.1 mmt-85 -77.82 142.46 38.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 119.778 -1.826 . . . . 0.0 106.948 178.236 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.91 156.23 44.56 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.154 -0.967 . . . . 0.0 108.46 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -51.0 -19.79 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 120.853 1.035 . . . . 0.0 113.005 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.0 tpt -92.03 -17.91 24.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 109.795 -179.103 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.43 26.58 8.6 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.92 111.71 60.55 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.51 -0.994 . . . . 0.0 108.689 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.75 129.18 20.12 Favored 'Trans proline' 0 N--CA 1.486 1.081 0 CA-C-N 119.867 0.988 . . . . 0.0 112.615 -179.174 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.5 158.74 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.56 155.55 25.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 46.5 t-20 -49.89 -35.73 24.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.142 -0.974 . . . . 0.0 111.439 -177.325 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.4 13.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.852 -1.155 . . . . 0.0 111.094 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -55.42 -40.35 71.36 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.44 -1.412 . . . . 0.0 110.635 -179.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.35 68.76 Favored Glycine 0 C--N 1.288 -2.111 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.765 -177.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.96 -51.43 58.6 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.2 -1.176 . . . . 0.0 110.956 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 62.6 t80 -60.57 -43.53 97.22 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.583 -1.323 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.641 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.2 t80 -61.61 -44.3 97.25 Favored 'General case' 0 C--O 1.2 -1.541 0 CA-C-O 121.552 0.691 . . . . 0.0 109.522 -178.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HZ3' ' CD1' ' A' ' 37' ' ' LEU . 17.0 ttpp -60.1 -42.33 94.44 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.13 -1.607 . . . . 0.0 109.637 179.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD1' ' HZ3' ' A' ' 36' ' ' LYS . 8.2 mp -70.31 -45.59 65.96 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.026 -1.046 . . . . 0.0 111.512 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 77.5 m-70 -115.21 0.32 13.5 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 120.938 -1.102 . . . . 0.0 112.637 -177.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.7 pt20 35.63 49.23 0.51 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.599 -1.313 . . . . 0.0 112.633 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.05 154.07 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.999 -1.063 . . . . 0.0 108.212 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -84.46 125.86 32.74 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 109.06 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.42 150.32 42.6 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.472 -0.767 . . . . 0.0 110.354 -178.899 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -62.34 149.6 90.18 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.309 1.34 . . . . 0.0 112.858 179.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 46' ' ' MET . 15.1 mt -66.9 -8.36 28.64 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.326 -0.859 . . . . 0.0 109.809 -179.684 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -58.14 -9.96 1.69 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.742 -1.224 . . . . 0.0 108.086 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.418 ' H ' ' C ' ' A' ' 44' ' ' LEU . 16.4 ttt -101.26 -8.86 21.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' CA ' ' A' ' 12' ' ' THR . 34.3 ttt-85 -83.14 139.62 33.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.74 -179.416 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -134.28 159.55 40.63 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -66.57 -73.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.034 -1.041 . . . . 0.0 111.017 -178.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.28 172.29 41.67 Favored Glycine 0 N--CA 1.496 2.635 0 C-N-CA 119.688 -1.244 . . . . 0.0 111.228 -178.507 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -91.96 140.8 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.564 -0.962 . . . . 0.0 109.164 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -80.26 152.13 29.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 109.281 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.5 159.77 41.03 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 122.296 1.046 . . . . 0.0 109.768 -179.568 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -141.01 172.94 11.98 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -62.06 136.51 57.98 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.022 -1.049 . . . . 0.0 108.241 179.263 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' HG2' HH11 ' A' ' 56' ' ' ARG . 2.1 mmt-85 -59.76 128.08 35.15 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.882 0.848 . . . . 0.0 112.146 -177.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 24.8 ttpt -48.18 163.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.043 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 3.9 m . . . . . 0 C--N 1.304 -1.382 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.372 0.606 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 -11.26 48.31 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 178.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 111.71 8.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.032 -1.276 . . . . 0.0 111.24 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.32 140.15 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 120.0 9.27 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.637 -1.289 . . . . 0.0 110.054 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 m -60.02 -40.06 88.03 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.591 -0.693 . . . . 0.0 110.123 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -77.66 -38.91 46.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.851 -1.156 . . . . 0.0 112.515 -178.058 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 p -130.86 12.75 5.27 Favored 'General case' 0 N--CA 1.514 2.767 0 CA-C-N 120.528 1.513 . . . . 0.0 112.804 -178.045 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 58.81 0.03 0.14 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.827 -1.171 . . . . 0.0 113.924 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -60.49 144.31 51.56 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 119.742 -1.849 . . . . 0.0 108.325 179.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -106.64 -8.86 16.75 Favored 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -99.9 119.98 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.068 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 p -144.01 147.38 33.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 109.222 -179.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 p -77.01 -39.66 49.47 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.495 -1.282 . . . . 0.0 107.692 178.657 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -141.53 130.36 23.0 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.132 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -79.8 130.29 35.2 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.669 -1.269 . . . . 0.0 109.574 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.675 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.7 mmt180 -112.86 177.5 4.61 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.735 . . . . 0.0 109.715 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -130.74 140.94 50.36 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 158.68 37.04 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.27 -0.894 . . . . 0.0 109.895 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -53.52 -16.88 8.4 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.228 1.285 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.7 ttm -93.79 -15.06 25.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.245 -0.91 . . . . 0.0 109.556 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 28.98 9.1 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -107.63 114.18 60.74 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.992 . . . . 0.0 109.122 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.95 141.84 16.27 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.08 1.064 . . . . 0.0 112.979 -179.768 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.1 159.28 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.24 -0.912 . . . . 0.0 109.975 179.185 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.57 157.38 22.34 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 110.557 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.675 ' ND2' HH21 ' A' ' 19' ' ' ARG . 41.0 t-20 -47.3 -35.29 7.73 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.57 -0.707 . . . . 0.0 112.522 -177.132 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.86 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.457 -1.402 . . . . 0.0 110.968 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 34.2 m -59.16 -43.67 92.11 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.572 -1.33 . . . . 0.0 110.072 -179.288 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.62 65.66 Favored Glycine 0 C--N 1.291 -1.933 0 C-N-CA 118.929 -1.605 . . . . 0.0 109.872 -178.363 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.68 -50.05 66.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.137 -1.213 . . . . 0.0 109.977 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 38.9 t80 -60.02 -46.36 89.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.664 -1.272 . . . . 0.0 110.117 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.6 t80 -64.51 -45.65 86.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.386 -0.821 . . . . 0.0 110.742 -178.438 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.15 -40.27 89.27 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.151 -1.593 . . . . 0.0 109.788 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.93 -39.49 66.21 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.235 -0.915 . . . . 0.0 111.72 -179.308 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLN . 80.8 m-70 -118.97 -1.08 11.04 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.916 -1.115 . . . . 0.0 112.338 -177.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.5 pt20 34.66 46.71 0.2 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.865 -1.147 . . . . 0.0 113.699 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -140.01 151.85 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -81.13 117.74 21.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.142 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' CG ' HH11 ' A' ' 42' ' ' ARG . 2.7 ttt-85 -93.06 135.22 26.08 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.488 -0.758 . . . . 0.0 109.488 -179.311 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -43.73 151.51 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 120.846 1.031 . . . . 0.0 113.091 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 46' ' ' MET . 6.7 mp -67.79 -16.06 63.93 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.489 -0.757 . . . . 0.0 110.718 -178.665 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.0 p -50.62 -10.04 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.237 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.54 ' H ' ' C ' ' A' ' 44' ' ' LEU . 10.9 tpt -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 1.1 mpt_? -81.97 157.02 24.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.234 -0.916 . . . . 0.0 111.402 -178.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -112.59 -156.75 0.6 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.079 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -92.51 2.64 56.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.88 -1.138 . . . . 0.0 109.926 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.33 -178.43 29.57 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 178.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mt -82.77 139.32 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.852 -1.381 . . . . 0.0 107.378 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.98 146.94 30.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.853 -1.154 . . . . 0.0 109.997 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.97 160.56 39.46 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.017 -1.052 . . . . 0.0 109.606 -179.55 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.51 161.8 41.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.272 0.558 . . . . 0.0 109.54 -179.385 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.62 136.46 38.92 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.232 -0.917 . . . . 0.0 108.591 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -69.78 139.73 53.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.672 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -63.68 -169.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.852 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.303 -1.416 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 -179.407 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.302 0.572 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -9.98 70.05 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -70.46 118.9 13.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.887 -1.361 . . . . 0.0 110.539 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 32.5 m -120.62 142.96 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 10' ' ' CYS . 10.8 t -78.95 126.97 31.39 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.575 -1.328 . . . . 0.0 109.533 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -177.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -78.52 -38.97 39.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.061 -1.649 . . . . 0.0 109.086 -179.17 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.826 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.3 p -131.47 88.08 2.54 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.784 1.278 . . . . 0.0 108.393 179.056 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' NE2' ' CG2' ' A' ' 6' ' ' VAL . 37.9 tp60 -37.1 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.812 0 CA-C-N 113.486 -1.688 . . . . 0.0 114.503 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.826 ' N ' ' O ' ' A' ' 10' ' ' CYS . 8.8 t -73.66 174.33 8.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 119.959 -1.713 . . . . 0.0 109.524 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.9 p -129.32 6.24 5.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.391 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.504 ' H ' ' HG1' ' A' ' 12' ' ' THR . 32.1 p -115.66 124.79 51.79 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.448 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 p -148.96 151.09 33.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.211 -0.931 . . . . 0.0 109.639 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -80.04 -39.29 30.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.402 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD21 HH12 ' A' ' 19' ' ' ARG . 7.0 tp -144.44 130.23 19.23 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -82.48 127.54 33.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 108.946 179.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 19' ' ' ARG . 2.0 mmt-85 -114.0 119.54 37.55 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.39 -0.819 . . . . 0.0 110.847 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -71.43 141.44 50.28 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -90.75 154.49 45.73 Favored Pre-proline 0 N--CA 1.504 2.271 0 O-C-N 120.719 -1.238 . . . . 0.0 109.757 -179.179 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -47.98 -25.93 6.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.028 1.152 . . . . 0.0 112.422 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.2 mtt -90.26 -15.19 31.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.546 -0.721 . . . . 0.0 109.596 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.84 18.72 21.88 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.18 113.18 60.91 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.186 -1.185 . . . . 0.0 109.658 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -49.89 130.34 26.9 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 CA-C-N 120.013 1.04 . . . . 0.0 113.294 179.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.17 153.12 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.338 -0.851 . . . . 0.0 108.959 177.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -78.14 165.63 23.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -54.94 -41.63 71.29 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 111.38 -177.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.15 -59.7 4.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.746 -1.221 . . . . 0.0 111.118 -178.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -60.09 -39.97 87.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.576 -178.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -50.03 64.62 Favored Glycine 0 N--CA 1.485 1.948 0 C-N-CA 119.164 -1.493 . . . . 0.0 109.748 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.41 -51.41 60.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.276 -1.132 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 22.6 t80 -60.29 -44.69 95.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.001 -1.062 . . . . 0.0 109.803 -179.54 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.3 t80 -60.05 -43.56 95.3 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.284 -179.041 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -60.11 -45.25 93.58 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.119 -1.613 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.05 -42.46 69.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.105 -0.997 . . . . 0.0 111.781 -178.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -111.89 -9.91 14.02 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.995 -1.065 . . . . 0.0 112.185 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 39.57 47.79 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.536 -1.353 . . . . 0.0 113.296 179.43 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.02 151.54 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 176.212 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 38.1 p-10 -85.68 130.02 34.67 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.783 -1.198 . . . . 0.0 110.184 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.57 150.05 39.1 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.331 -0.855 . . . . 0.0 109.894 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 45' ' ' THR . 6.0 Cg_endo -60.4 152.95 63.69 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.304 1.336 . . . . 0.0 112.947 179.257 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.98 7.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.524 -0.735 . . . . 0.0 109.97 179.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.9 p -64.81 -12.84 52.45 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.128 -0.982 . . . . 0.0 109.262 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -97.59 -21.48 17.04 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.204 -0.935 . . . . 0.0 109.06 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.09 145.71 29.1 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -131.01 151.55 51.29 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.295 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.4 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.026 -1.046 . . . . 0.0 109.88 -179.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.78 -176.75 17.31 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mt -91.57 141.92 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.225 -1.162 . . . . 0.0 109.724 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.97 151.94 31.32 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.64 157.64 45.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.264 -0.897 . . . . 0.0 110.323 -179.125 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -145.42 171.19 14.98 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.225 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.06 136.07 57.91 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -60.01 129.03 39.75 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 110.264 -178.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -44.99 161.92 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.57 -0.706 . . . . 0.0 109.112 179.766 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.489 1.518 0 O-C-N 120.979 -1.075 . . . . 0.0 109.595 -179.56 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.449 0.642 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.11 -6.45 83.5 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 178.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -68.27 112.37 5.13 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.982 -1.304 . . . . 0.0 110.8 -178.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.09 140.92 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 176.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.9 t -60.77 118.04 6.14 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 120.886 -1.134 . . . . 0.0 110.05 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.04 -40.0 87.85 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.115 -179.329 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.575 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 5.1 m120 -75.57 -39.53 58.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.771 -1.171 . . . . 0.0 112.363 -178.627 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -127.95 11.69 6.62 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.441 1.473 . . . . 0.0 113.003 -178.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.1 mt-30 56.79 -0.61 0.06 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.37 -1.456 . . . . 0.0 113.734 176.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.7 t -63.65 157.16 24.73 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 119.821 -1.799 . . . . 0.0 108.494 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -128.83 6.65 5.56 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 121.039 -1.038 . . . . 0.0 110.572 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 7.9 p -107.8 48.97 0.82 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.948 -1.095 . . . . 0.0 109.165 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -74.35 146.31 43.16 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 121.21 -0.931 . . . . 0.0 111.857 -176.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -72.93 -41.87 64.08 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.487 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' NH1' ' A' ' 19' ' ' ARG . 9.8 tp -142.67 131.52 22.86 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.844 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -79.63 126.98 31.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.074 -1.016 . . . . 0.0 109.9 -179.75 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.643 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.7 mmt180 -108.33 177.22 4.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.302 -0.874 . . . . 0.0 108.921 179.388 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -131.1 139.64 49.89 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.694 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -92.74 156.23 41.09 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 120.909 -1.119 . . . . 0.0 109.448 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.08 -14.62 1.51 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.25 1.3 . . . . 0.0 112.597 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.8 OUTLIER -94.92 -11.59 28.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 109.948 -179.658 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.38 31.1 9.9 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -108.52 114.45 59.02 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.513 -0.993 . . . . 0.0 109.293 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -50.57 140.6 35.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 CA-C-N 120.192 1.104 . . . . 0.0 112.944 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -143.54 159.44 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.48 -0.762 . . . . 0.0 109.96 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -84.14 156.78 21.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.074 -1.016 . . . . 0.0 109.575 179.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.643 ' ND2' HH21 ' A' ' 19' ' ' ARG . 47.6 t-20 -45.25 -40.44 7.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 111.812 -178.399 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.2 39.21 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.855 -1.153 . . . . 0.0 111.475 -178.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.9 m -56.71 -39.06 73.2 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 110.57 -178.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.85 -49.23 80.1 Favored Glycine 0 N--CA 1.487 2.092 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.035 -178.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 mt -69.5 -47.47 63.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.199 -1.177 . . . . 0.0 110.296 -179.314 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 29.7 t80 -60.04 -40.04 87.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.769 -1.207 . . . . 0.0 109.132 -179.659 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 39' ' ' GLN . 57.3 t80 -59.95 -44.68 94.26 Favored 'General case' 0 C--O 1.199 -1.593 0 O-C-N 121.531 -0.731 . . . . 0.0 110.02 -178.766 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -56.27 -47.12 79.21 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 120.139 -1.601 . . . . 0.0 110.159 -179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 7.8 mp -71.95 -35.89 69.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.4 -1.437 . . . . 0.0 109.618 178.735 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.972 ' O ' ' N ' ' A' ' 40' ' ' VAL . 62.2 m-70 -112.24 42.79 1.72 Allowed 'General case' 0 C--O 1.192 -1.967 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 35' ' ' TYR . 50.5 tt0 -31.3 59.28 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 CA-C-O 122.156 0.979 . . . . 0.0 110.66 -179.216 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.972 ' N ' ' O ' ' A' ' 38' ' ' HIS . 22.8 m -160.45 174.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.688 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 30.2 p-10 -80.23 128.63 33.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 108.338 178.665 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.782 ' H ' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -97.81 154.65 37.76 Favored Pre-proline 0 N--CA 1.503 2.176 0 O-C-N 121.167 -0.958 . . . . 0.0 112.006 -177.495 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 45' ' ' THR . 29.0 Cg_endo -70.42 150.6 64.46 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.355 1.37 . . . . 0.0 111.551 178.577 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.36 15.55 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.356 -0.84 . . . . 0.0 110.881 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.0 p -66.35 -18.63 65.47 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.813 -1.179 . . . . 0.0 109.551 179.548 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -99.07 -2.51 36.92 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.149 -0.97 . . . . 0.0 110.675 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -83.17 129.96 35.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.194 -0.941 . . . . 0.0 111.281 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -125.99 146.32 49.93 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.364 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.12 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.807 -1.183 . . . . 0.0 110.51 -178.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.22 -173.41 29.18 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 14' ' ' THR . 1.9 mt -91.69 135.53 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.303 -1.116 . . . . 0.0 110.256 -179.689 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.26 152.74 43.0 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.67 158.18 43.92 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.74 -1.225 . . . . 0.0 111.397 -178.581 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -150.93 170.01 20.37 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.949 179.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -54.8 135.62 47.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.07 130.27 46.18 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.371 -0.83 . . . . 0.0 111.398 -177.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 33.0 ttpt -48.42 156.22 0.44 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.64 -0.663 . . . . 0.0 109.284 178.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 57' ' ' LYS . 14.0 p . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.403 0.62 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 0.5 75.86 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.419 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -66.79 119.49 11.92 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.709 -1.465 . . . . 0.0 110.896 -178.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.11 141.84 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.007 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.0 t -62.58 115.36 4.2 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.528 -1.357 . . . . 0.0 110.729 -179.509 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -60.05 -40.03 88.0 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 109.489 179.443 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -75.29 -39.52 59.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.871 -1.143 . . . . 0.0 112.581 -178.191 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 p -128.26 11.43 6.42 Favored 'General case' 0 N--CA 1.509 2.502 0 CA-C-N 120.392 1.451 . . . . 0.0 112.238 -178.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 7' ' ' CYS . 78.5 mt-30 61.42 2.59 0.67 Allowed 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.535 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -64.41 160.03 20.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 119.632 -1.918 . . . . 0.0 109.369 -179.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -133.6 11.49 4.07 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.103 -0.998 . . . . 0.0 108.99 178.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 19.5 p -114.39 48.22 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -76.06 148.99 37.57 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 121.053 -1.029 . . . . 0.0 111.35 -176.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -79.55 -37.82 35.59 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 177.522 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tp -144.48 132.15 21.16 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -84.49 127.59 34.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.731 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.4 mmt180 -114.18 119.04 35.73 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.465 -0.772 . . . . 0.0 109.755 -179.27 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -70.39 143.2 51.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 119.843 -1.785 . . . . 0.0 107.432 177.561 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 156.25 40.85 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 120.934 -1.104 . . . . 0.0 110.097 -179.297 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.81 -23.38 8.46 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.591 1.528 . . . . 0.0 113.09 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.1 ttt -94.47 -15.33 24.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.067 -1.02 . . . . 0.0 109.869 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 22.69 9.9 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.406 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -100.31 114.07 65.6 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.364 . . . . 0.0 109.76 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -52.59 130.94 38.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 CA-C-N 120.159 1.092 . . . . 0.0 112.324 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.76 160.87 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.445 -0.784 . . . . 0.0 109.67 178.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -82.74 160.29 22.36 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.205 -0.934 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.731 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.3 t-20 -47.42 -41.77 20.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.744 -0.598 . . . . 0.0 112.218 -177.694 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.39 29.48 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.709 -1.244 . . . . 0.0 110.681 -178.177 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' NE ' ' A' ' 42' ' ' ARG . 55.9 m -56.03 -52.69 63.34 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.648 -1.283 . . . . 0.0 108.919 179.608 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.36 -59.92 2.5 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.76 -50.86 71.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -1.038 . . . . 0.0 111.974 -178.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 38.8 t80 -59.94 -37.1 78.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.786 -1.196 . . . . 0.0 109.698 -179.407 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' GLN . 30.8 t80 -59.49 -49.48 77.64 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.26 0.552 . . . . 0.0 110.335 -178.415 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.71 86.9 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.632 -1.293 . . . . 0.0 109.976 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 37' ' ' LEU . 8.4 mp -59.09 -45.97 89.48 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 108.623 -178.586 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 46.5 m-70 -108.97 -72.46 0.72 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.183 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 51.1 tt0 114.59 61.14 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 CA-C-O 122.115 0.96 . . . . 0.0 108.514 -179.106 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.56 162.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 18.9 p30 -81.52 133.86 35.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.015 -1.053 . . . . 0.0 108.796 179.168 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NE ' ' SG ' ' A' ' 31' ' ' CYS . 24.4 ptt180 -92.54 150.08 39.24 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 120.834 -1.166 . . . . 0.0 109.4 -179.12 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.95 151.16 82.62 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 120.639 0.892 . . . . 0.0 111.827 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.04 0.37 3.65 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.318 -0.864 . . . . 0.0 110.483 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -61.18 -16.55 45.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.642 -1.286 . . . . 0.0 108.466 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 ttt -97.89 -0.95 44.04 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.254 -0.904 . . . . 0.0 109.865 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -80.16 129.95 34.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ASP . 53.9 tttm -123.38 138.36 54.62 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 2.1 p-10 -39.37 -90.86 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.51 -0.743 . . . . 0.0 110.95 -178.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -72.11 -174.08 21.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.328 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -91.36 144.45 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.176 -1.19 . . . . 0.0 109.279 179.241 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.47 152.65 28.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.568 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.629 ' HG1' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -139.21 160.93 38.64 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.927 -1.108 . . . . 0.0 109.784 -179.506 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.629 ' N ' ' HG1' ' A' ' 53' ' ' THR . 50.7 mtp180 -151.28 175.51 12.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.832 -0.543 . . . . 0.0 109.949 -179.061 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.03 137.31 58.24 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -68.15 135.23 51.79 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.907 0.861 . . . . 0.0 111.752 -178.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -50.09 149.71 2.69 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.74 -0.6 . . . . 0.0 110.049 179.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.497 1.915 0 O-C-N 121.352 -0.843 . . . . 0.0 108.733 179.485 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 1 O4'-C1'-N19 111.201 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 0 O4'-C1'-N19 110.3 3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.533 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.027 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.555 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.445 1.917 1 O4'-C1'-N19 112.477 5.847 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.465 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 0 O4'-C1'-N19 110.966 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.561 1 O4'-C1'-N19 111.642 4.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.2 4.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.882 5.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.827 0 O4'-C1'-N19 110.339 3.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.502 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.699 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 111.187 4.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.411 ' O2 ' ' H2 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.005 1 O4'-C1'-N19 111.34 4.426 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.69 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.214 3.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.373 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.173 1 O4'-C1'-N19 111.655 4.819 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.559 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 111.897 5.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.455 ' OP1' ' CD2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.411 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.45 2.33 1 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.547 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.018 0 O4'-C1'-N19 110.689 3.611 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.515 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O4'-C1'-N19 112.353 5.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.81 0 C3'-C2'-C1' 107.246 3.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.195 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.533 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.432 ' C6 ' ' N6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.501 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.432 ' N6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.363 1 O4'-C1'-N19 111.193 4.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.211 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 5' ' ' THR . 8.5 ptpp? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.859 0.838 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HG3' ' HE1' ' A' ' 18' ' ' TRP . 30.6 ttp180 -67.4 -40.0 85.6 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.449 0.642 . . . . 0.0 109.59 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.59 118.34 2.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.495 -0.753 . . . . 0.0 110.521 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 -11.44 60.71 Favored Glycine 0 N--CA 1.495 2.588 0 O-C-N 121.284 -0.885 . . . . 0.0 111.636 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 6.9 m -63.25 119.14 9.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.5 -1.588 . . . . 0.0 109.485 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.7 141.74 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 11' ' ' GLN . 31.8 t -62.94 115.26 4.23 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.646 -1.284 . . . . 0.0 110.452 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -60.3 -39.98 88.88 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.74 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -74.99 -39.11 61.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.893 -1.13 . . . . 0.0 111.808 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 p -130.1 14.03 5.7 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.175 1.352 . . . . 0.0 112.738 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.4 mt-30 57.21 1.16 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.583 -1.323 . . . . 0.0 114.0 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -61.2 156.86 17.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 119.897 -1.752 . . . . 0.0 108.557 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -133.51 10.01 4.02 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.876 -1.14 . . . . 0.0 108.825 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 30.2 p -112.47 47.52 1.07 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 p -75.76 149.03 38.08 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.082 -1.011 . . . . 0.0 111.285 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -75.68 -39.39 57.62 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.555 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.8 tp -141.02 132.52 26.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.4 ' HE1' ' HG3' ' A' ' 2' ' ' ARG . 43.5 m95 -80.98 126.27 31.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.997 -1.064 . . . . 0.0 109.657 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' NH1' HD21 ' A' ' 29' ' ' ASN . 7.7 mmt-85 -110.49 177.9 4.54 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 18.0 tpt180 -130.56 141.93 50.47 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.9 160.08 38.85 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 120.986 -1.071 . . . . 0.0 109.475 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.51 -17.26 16.32 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.43 1.42 . . . . 0.0 112.479 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ttt -93.85 -12.02 29.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 109.88 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 94.52 21.81 25.78 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -99.01 115.05 65.99 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 0.0 108.822 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -49.97 139.08 34.31 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 CA-C-N 120.229 1.118 . . . . 0.0 112.544 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -140.77 159.64 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.3 -0.875 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.06 155.06 24.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.198 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.49 HD21 ' NH1' ' A' ' 19' ' ' ARG . 24.2 t-20 -49.43 -31.34 9.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.307 -0.87 . . . . 0.0 110.636 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.62 -53.81 12.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.749 -1.219 . . . . 0.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -58.87 -41.74 87.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.825 -1.172 . . . . 0.0 110.086 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.85 -49.52 70.32 Favored Glycine 0 C--N 1.292 -1.913 0 C-N-CA 118.927 -1.606 . . . . 0.0 110.185 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.87 -49.71 49.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 110.438 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.0 -45.83 91.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.921 -1.112 . . . . 0.0 109.466 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLN . 34.1 t80 -60.93 -47.59 85.7 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.563 0.697 . . . . 0.0 110.083 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -60.0 -40.37 88.95 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.271 -1.518 . . . . 0.0 109.919 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.5 -39.98 67.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 111.605 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' OP1' ' C' ' 122' ' ' ' DT' . 77.7 m-70 -113.34 -12.46 13.02 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.848 -1.157 . . . . 0.0 111.801 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' TYR . 33.4 tt0 43.29 57.02 3.99 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.44 -1.413 . . . . 0.0 111.429 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.12 154.82 8.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.15 120.46 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.787 -1.195 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 31.4 ttp180 -89.92 139.52 27.54 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.802 -0.561 . . . . 0.0 109.722 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -60.05 152.45 65.13 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 120.619 0.879 . . . . 0.0 112.337 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.22 -1.16 7.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.685 . . . . 0.0 110.77 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -60.97 -14.88 25.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.746 -1.222 . . . . 0.0 109.63 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.535 ' SD ' ' NH1' ' A' ' 42' ' ' ARG . 20.4 ttt -98.22 -0.57 43.87 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.134 -0.979 . . . . 0.0 109.36 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -77.01 136.91 38.72 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.66 -0.65 . . . . 0.0 109.358 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -123.44 133.27 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -46.27 -83.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.038 -1.039 . . . . 0.0 110.012 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.92 178.74 28.8 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -92.19 140.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.4 -1.059 . . . . 0.0 110.234 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -78.48 149.72 33.13 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 159.96 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 0.0 109.359 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -152.36 169.84 21.56 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -54.79 138.91 41.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 56' ' ' ARG . 39.4 mtt-85 -62.17 130.46 45.53 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.286 -0.884 . . . . 0.0 111.884 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' VAL . 5.6 ttmt -52.29 148.99 5.88 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' LYS . 14.9 p -42.11 150.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.484 -0.76 . . . . 0.0 109.453 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -82.39 130.58 35.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.975 -1.078 . . . . 0.0 108.47 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.4 t -145.61 148.8 33.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.124 -0.985 . . . . 0.0 109.475 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -90.02 -93.24 0.12 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.128 -0.983 . . . . 0.0 109.27 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -175.16 45.7 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -126.65 154.08 44.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.569 -0.96 . . . . 0.0 108.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.86 140.02 58.83 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -118.57 149.29 41.59 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.617 0.722 . . . . 0.0 110.02 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.922 -179.652 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 O4'-C1'-N19 110.581 3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.397 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.681 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.406 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.566 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.444 1.871 1 O4'-C1'-N19 111.933 5.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.459 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.649 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.621 1 O4'-C1'-N19 111.317 4.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.388 1 O4'-C1'-N19 112.305 5.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.433 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C1'-N19 110.153 2.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.526 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.802 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.054 1 O4'-C1'-N19 111.753 4.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.505 4.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.586 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.762 3.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.5 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.476 4.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.526 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.52 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 112.185 5.481 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.462 4.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 111.649 4.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.454 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.423 1 O4'-C1'-N19 111.424 4.529 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.454 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.532 1 O4'-C1'-N19 112.037 5.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.428 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.058 0 C3'-C2'-C1' 107.323 3.302 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.479 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 1 O4'-C1'-N19 111.882 5.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 O4'-C1'-N19 110.972 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 18' ' ' TRP . 3.6 mmp_? -69.91 -39.9 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -0.908 . . . . 0.0 109.213 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.26 115.56 0.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.73 -0.606 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -2.19 80.74 Favored Glycine 0 N--CA 1.499 2.892 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 m -70.61 114.46 8.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.784 -1.421 . . . . 0.0 110.861 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.37 140.97 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -58.61 119.49 7.15 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.883 -1.136 . . . . 0.0 111.416 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -60.05 -39.85 87.43 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.369 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.411 HD21 ' HB3' ' A' ' 31' ' ' CYS . 98.6 m-20 -75.63 -38.87 58.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.756 -1.215 . . . . 0.0 111.997 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.7 p -130.97 13.61 5.24 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 120.368 1.44 . . . . 0.0 112.877 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 7' ' ' CYS . 26.9 mm100 57.16 4.56 0.2 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.281 -1.512 . . . . 0.0 113.849 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -67.24 158.0 32.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 119.98 -1.7 . . . . 0.0 108.656 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 m -130.43 6.43 4.84 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.194 -0.941 . . . . 0.0 109.432 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.3 p -106.05 48.22 0.85 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.247 -0.908 . . . . 0.0 109.256 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -77.55 147.69 35.61 Favored 'General case' 0 C--N 1.284 -2.266 0 O-C-N 121.161 -0.962 . . . . 0.0 111.836 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.3 p -77.63 -39.04 46.61 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.566 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 6.7 tp -143.95 132.64 22.42 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.455 ' CB ' ' NH1' ' A' ' 2' ' ' ARG . 59.5 m95 -80.74 128.08 33.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.862 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -110.72 176.24 5.11 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.575 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 17.4 mmm-85 -131.0 139.71 50.03 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 160.09 34.72 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.336 -0.852 . . . . 0.0 109.449 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.57 -16.08 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.382 1.388 . . . . 0.0 112.295 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.8 mtm -95.2 -11.4 28.13 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.035 -1.041 . . . . 0.0 109.8 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.54 36.36 6.2 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -109.86 115.99 54.53 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 121.282 -1.128 . . . . 0.0 110.439 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -51.95 128.72 27.81 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.065 1.059 . . . . 0.0 111.989 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -133.68 159.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.631 -0.668 . . . . 0.0 109.84 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.87 160.98 22.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -0.932 . . . . 0.0 109.861 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -49.76 -34.65 19.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.686 -0.634 . . . . 0.0 111.955 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.31 -49.97 15.53 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.534 -1.354 . . . . 0.0 111.717 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' HD21 ' A' ' 9' ' ' ASN . 69.6 m -59.81 -42.31 93.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.493 -1.379 . . . . 0.0 110.053 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.24 77.1 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.83 -47.02 76.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.367 -1.078 . . . . 0.0 109.159 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.96 -47.27 86.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 108.856 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' GLN . 12.8 t80 -63.56 -48.9 75.57 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-O 121.387 0.613 . . . . 0.0 110.845 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.13 -41.22 92.19 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.177 -1.577 . . . . 0.0 110.745 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.39 -41.46 84.93 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.974 -1.079 . . . . 0.0 111.281 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' GLN . 87.5 m-70 -123.31 6.95 9.05 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.869 -1.144 . . . . 0.0 112.559 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.2 tt0 35.92 59.19 0.9 Allowed 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.697 -1.252 . . . . 0.0 112.305 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.57 151.75 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -86.56 129.73 34.76 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.045 -1.034 . . . . 0.0 109.845 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -94.39 129.17 37.7 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.143 -0.973 . . . . 0.0 109.238 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -47.37 151.79 2.7 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 CA-C-N 120.071 1.061 . . . . 0.0 112.85 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.04 -9.94 3.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.619 -0.676 . . . . 0.0 110.746 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.6 p -57.02 -13.11 2.46 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 120.7 -1.25 . . . . 0.0 109.248 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 ttt -96.63 -4.41 41.07 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.11 -0.994 . . . . 0.0 109.999 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -78.06 133.73 37.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.685 -0.635 . . . . 0.0 111.302 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 50' ' ' GLY . 31.4 mtmm -115.98 128.6 55.87 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.44 5.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.873 -1.142 . . . . 0.0 111.221 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -150.34 168.73 30.29 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -90.02 137.8 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.269 . . . . 0.0 109.76 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.69 150.79 27.85 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.505 -0.747 . . . . 0.0 109.489 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.688 ' HG1' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -137.84 160.4 39.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 110.346 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.688 ' N ' ' HG1' ' A' ' 53' ' ' THR . 13.9 tpt180 -149.74 156.25 41.53 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.51 139.98 11.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.044 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -57.49 123.37 15.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 109.232 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -67.6 169.53 9.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.318 -0.864 . . . . 0.0 110.18 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.02 160.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.527 -0.733 . . . . 0.0 109.842 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.3 p -91.18 84.45 5.67 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 t -92.06 77.28 5.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.265 -0.897 . . . . 0.0 109.771 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -167.91 89.4 0.28 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.467 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.5 -105.21 2.67 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -83.26 158.95 22.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.383 -1.069 . . . . 0.0 109.852 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -79.98 -0.96 37.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.389 -0.819 . . . . 0.0 109.766 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 65' ' ' ARG . 39.3 ttt-85 -59.88 138.01 57.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.294 -179.487 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 0 O4'-C1'-N19 110.698 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 1 O4'-C1'-N19 111.316 4.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.833 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O4'-C1'-N19 110.819 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.436 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.578 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.066 1 O4'-C1'-N19 111.641 4.802 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.546 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.195 0 O4'-C1'-N19 110.874 3.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.488 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.572 1 O4'-C1'-N19 111.167 4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.278 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.108 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.587 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.289 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.697 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.587 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.103 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.329 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.53 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.53 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.607 1 O4'-C1'-N19 112.208 5.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.461 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.353 1 O4'-C1'-N19 111.806 5.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.488 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.251 0 O4'-C1'-N19 110.527 3.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.488 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.106 1 O4'-C1'-N19 112.524 5.905 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.489 ' OP1' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.184 0 C3'-C2'-C1' 107.174 3.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.583 4.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.436 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.744 3.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 1 O4'-C1'-N19 111.368 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 5' ' ' THR . 61.0 mttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -95.15 -10.01 31.82 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.377 -0.827 . . . . 0.0 109.402 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.31 113.33 5.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 -10.9 55.99 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 16.0 m -63.28 120.64 11.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -1.23 . . . . 0.0 110.191 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.25 141.93 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 t -63.07 117.53 6.61 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.587 -1.321 . . . . 0.0 109.888 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' PRO . 63.8 m -59.94 -40.13 87.88 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -73.33 -40.06 64.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 112.547 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.52 13.05 4.53 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.366 -1.459 . . . . 0.0 112.52 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.9 tt0 63.29 -0.92 0.59 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.759 -1.213 . . . . 0.0 113.584 176.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -63.1 148.35 48.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 119.622 -1.924 . . . . 0.0 108.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.5 p -108.92 -7.82 15.37 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 p -103.45 121.72 43.41 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.4 p -145.38 147.13 31.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 0.0 109.457 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 p -74.46 -40.58 61.81 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.578 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 4.1 tp -144.79 129.98 18.6 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -81.42 130.13 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.728 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.9 mmt180 -113.09 113.85 25.99 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 21' ' ' SER . 16.1 tpt180 -78.78 82.33 5.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 119.973 -1.704 . . . . 0.0 108.297 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.4 156.88 0.03 OUTLIER Pre-proline 0 N--CA 1.505 2.291 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -54.19 -16.41 9.62 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.241 1.961 . . . . 0.0 114.2 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.4 mtt -94.14 -16.88 23.34 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.963 -1.086 . . . . 0.0 109.377 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 16.86 23.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.72 122.0 54.49 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.617 -1.52 . . . . 0.0 109.369 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 8' ' ' SER . 5.7 Cg_exo -57.59 134.26 62.03 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 CA-C-N 120.049 1.053 . . . . 0.0 112.949 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -141.41 161.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 121.35 -0.843 . . . . 0.0 109.979 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.45 154.45 22.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.942 -1.099 . . . . 0.0 109.379 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.728 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.1 t-20 -44.76 -37.57 3.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.5 -0.75 . . . . 0.0 111.983 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -48.48 55.28 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.602 -1.311 . . . . 0.0 111.411 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' NH1' ' A' ' 42' ' ' ARG . 56.5 m -61.23 -41.7 97.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.87 -1.143 . . . . 0.0 110.885 -178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.67 56.74 Favored Glycine 0 N--CA 1.484 1.893 0 C-N-CA 118.903 -1.618 . . . . 0.0 109.752 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.51 -47.28 79.48 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 109.771 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 24.1 t80 -59.96 -42.98 95.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.052 -1.03 . . . . 0.0 109.489 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.632 ' O ' ' N ' ' A' ' 39' ' ' GLN . 16.8 t80 -68.82 -46.59 68.22 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.674 -0.642 . . . . 0.0 110.858 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -59.93 -41.21 91.31 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 119.942 -1.724 . . . . 0.0 110.386 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.05 -39.99 75.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.085 -1.009 . . . . 0.0 111.612 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 78.7 m-70 -119.07 0.69 11.32 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.85 -1.156 . . . . 0.0 112.212 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.632 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.3 pt20 36.62 42.21 0.2 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.701 -1.25 . . . . 0.0 113.183 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.27 154.78 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.092 -1.005 . . . . 0.0 108.467 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -84.19 131.56 34.75 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.246 -0.909 . . . . 0.0 110.077 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.75 149.55 37.62 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.231 -0.918 . . . . 0.0 110.639 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.2 Cg_endo -62.9 153.25 74.39 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.372 1.381 . . . . 0.0 112.267 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.23 18.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.474 -0.766 . . . . 0.0 110.458 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.557 ' H ' ' C ' ' A' ' 43' ' ' PRO . 14.0 t -64.16 -18.11 64.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.312 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.6 mtp -100.89 -7.36 23.55 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.3 -0.875 . . . . 0.0 109.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -81.24 130.79 35.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.387 -0.82 . . . . 0.0 110.503 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -131.36 150.07 52.29 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -41.55 -85.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 110.942 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.66 -172.54 32.56 Favored Glycine 0 N--CA 1.493 2.462 0 O-C-N 121.049 -1.032 . . . . 0.0 111.229 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -90.69 141.01 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.766 -0.843 . . . . 0.0 109.339 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -80.48 152.66 28.62 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.05 162.46 34.08 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.914 -1.116 . . . . 0.0 110.606 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.483 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -149.97 158.93 44.66 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.351 0.595 . . . . 0.0 109.945 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -56.11 139.75 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.388 -0.82 . . . . 0.0 109.223 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' NH1' ' OP1' ' C' ' 126' ' ' ' DC' . 38.6 mtp180 -64.9 127.01 29.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.351 -0.843 . . . . 0.0 110.51 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 56.0 pttt -65.12 160.68 20.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.709 -0.619 . . . . 0.0 109.426 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.17 163.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 110.08 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 t -92.78 115.41 28.09 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -125.9 112.04 15.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.437 -0.789 . . . . 0.0 109.765 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.74 -37.03 76.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -137.88 163.4 25.58 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -60.35 -39.52 87.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.953 -1.322 . . . . 0.0 109.575 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -169.92 113.5 0.49 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.152 -0.968 . . . . 0.0 108.875 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -108.94 128.79 55.24 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.22 -0.925 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.545 HH11 ' HG2' ' A' ' 66' ' ' ARG . 1.5 ptt-85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.042 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.844 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.517 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.498 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.495 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.253 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.525 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.032 1 O4'-C1'-N19 112.251 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 112.473 5.841 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-N19 112.184 5.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.966 0 C3'-C2'-C1' 106.908 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.05 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 1 O4'-C1'-N19 111.805 5.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 1 O4'-C1'-N19 111.273 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.582 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.185 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 1 O4'-C1'-N19 111.63 4.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.541 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 1 O4'-C1'-N19 111.312 4.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.541 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.348 4.435 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.515 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.332 1 O4'-C1'-N19 111.549 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.932 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.457 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 1 O4'-C1'-N19 112.791 6.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.281 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.958 3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.457 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 110.382 3.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 1 O4'-C1'-N19 111.664 4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -6.01 51.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.319 -0.863 . . . . 0.0 109.148 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.48 111.93 7.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 0.0 110.895 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.6 -10.84 58.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -68.1 114.84 6.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.725 -1.456 . . . . 0.0 110.326 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.62 142.42 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' GLN . 43.7 t -63.97 119.05 9.36 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 120.79 -1.193 . . . . 0.0 110.395 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.6 m -60.59 -40.1 90.52 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.83 -0.543 . . . . 0.0 110.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -77.42 -38.68 49.18 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.066 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.7 p -128.59 13.57 6.47 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 120.291 1.405 . . . . 0.0 112.428 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 7' ' ' CYS . 24.4 mt-30 56.04 0.06 0.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.695 -1.253 . . . . 0.0 113.537 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 t -63.68 154.18 33.83 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 119.993 -1.692 . . . . 0.0 108.471 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -127.96 3.07 5.94 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.288 -0.882 . . . . 0.0 108.774 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.535 ' O ' ' CG1' ' A' ' 51' ' ' ILE . 6.0 p -100.34 49.17 0.91 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -78.92 144.47 34.84 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.315 -0.865 . . . . 0.0 111.54 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.411 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 30.9 p -77.49 -36.51 52.6 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.525 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 6.8 tp -141.94 130.9 23.09 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -80.86 125.24 29.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.678 -1.264 . . . . 0.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.458 HH12 HD21 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -117.2 129.34 55.87 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -82.5 148.06 28.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 119.987 -1.696 . . . . 0.0 106.854 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.73 157.04 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 120.963 -1.086 . . . . 0.0 109.582 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -50.29 -23.09 9.41 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.265 1.31 . . . . 0.0 112.104 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -90.72 -15.19 30.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.53 25.01 9.58 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.83 119.38 54.72 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.269 -1.136 . . . . 0.0 109.707 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -51.21 127.98 23.79 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 CA-C-N 120.154 1.091 . . . . 0.0 112.655 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.08 158.15 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.218 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -81.32 155.68 25.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.084 -1.01 . . . . 0.0 109.126 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 49.9 t-20 -49.93 -30.95 11.24 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.231 -0.918 . . . . 0.0 111.967 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.57 -50.19 16.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.253 -1.53 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.16 -40.54 81.66 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.603 -1.311 . . . . 0.0 109.618 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.92 69.37 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.163 -1.494 . . . . 0.0 110.229 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.18 -49.89 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.129 -1.218 . . . . 0.0 110.197 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.07 -42.19 94.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.856 -1.153 . . . . 0.0 109.602 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -69.52 -47.72 62.85 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 121.411 -0.806 . . . . 0.0 110.184 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.1 -42.37 94.53 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.954 -1.716 . . . . 0.0 110.026 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.12 -42.1 73.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.022 -1.049 . . . . 0.0 111.402 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.515 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 76.1 m-70 -115.77 1.41 13.44 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 120.769 -1.207 . . . . 0.0 112.178 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 pm0 32.97 46.63 0.09 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.885 -1.134 . . . . 0.0 113.478 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.88 150.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 108.683 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.19 139.41 31.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.669 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.24 150.03 62.55 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.135 -0.978 . . . . 0.0 109.258 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.578 ' C ' ' H ' ' A' ' 45' ' ' THR . 4.4 Cg_exo -51.71 150.47 16.88 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 120.783 0.989 . . . . 0.0 113.357 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.06 7.22 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.445 -0.784 . . . . 0.0 110.147 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.578 ' H ' ' C ' ' A' ' 43' ' ' PRO . 13.1 t -63.18 -12.24 26.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 108.631 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tpt -95.58 -11.95 26.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.197 -0.939 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' NH1' ' O ' ' A' ' 10' ' ' CYS . 70.4 ttt180 -81.05 130.82 35.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.74 -0.6 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' C ' ' H ' ' A' ' 50' ' ' GLY . 19.4 mmmt -117.8 131.03 56.62 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.41 -0.806 . . . . 0.0 109.086 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -52.95 2.11 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.371 -0.83 . . . . 0.0 112.452 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.88 169.82 31.28 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 120.636 -1.29 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 14' ' ' THR . 33.3 mt -90.38 129.45 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -1.087 . . . . 0.0 108.811 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.32 151.29 28.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.502 -0.749 . . . . 0.0 109.356 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 167.85 20.45 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.568 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -152.71 163.0 40.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -54.19 135.84 43.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 108.906 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HG2' ' NH1' ' A' ' 56' ' ' ARG . 5.8 tpt180 -56.24 121.23 9.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 109.717 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -64.77 -167.9 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 0.0 109.507 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.7 142.09 16.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.8 p -81.92 67.67 8.0 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.0 t -74.31 125.92 29.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.538 -0.726 . . . . 0.0 110.295 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -145.96 127.32 14.93 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.34 95.78 1.58 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -149.9 119.73 7.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.269 -1.136 . . . . 0.0 109.587 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -129.14 142.63 50.82 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.293 -0.879 . . . . 0.0 108.921 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -72.54 137.5 46.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.054 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.653 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.68 3.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.459 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.515 3.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.545 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.925 1 O4'-C1'-N19 112.476 5.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.453 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.195 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.349 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.608 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.747 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.671 0 C3'-C2'-C1' 106.974 3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 1 O4'-C1'-N19 111.17 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.47 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.339 3.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.586 3.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.578 4.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.551 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.551 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 112.296 5.62 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.537 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.463 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.464 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.469 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.193 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.469 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.071 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 112.061 5.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.441 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.577 3.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 1 O4'-C1'-N19 111.112 4.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 1 O4'-C1'-N19 111.351 4.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.53 ' O ' ' OG1' ' A' ' 5' ' ' THR . 41.7 mmtm . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -44.18 -24.6 0.17 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.651 -0.655 . . . . 0.0 110.302 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -80.76 101.77 9.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 109.41 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.09 2.51 64.27 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 16.2 m -63.43 120.36 11.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.725 -1.456 . . . . 0.0 110.845 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.95 141.87 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.0 t -64.44 117.15 6.89 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.468 -1.395 . . . . 0.0 110.3 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' PRO . 66.3 m -59.91 -40.05 87.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.462 -0.774 . . . . 0.0 110.478 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' HB3' HH12 ' A' ' 42' ' ' ARG . 94.1 m-20 -75.41 -38.67 59.73 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.212 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.4 p -130.79 12.43 5.28 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 120.318 1.417 . . . . 0.0 112.258 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.521 ' N ' ' O ' ' A' ' 7' ' ' CYS . 28.7 mm100 59.33 1.49 0.25 Allowed 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -60.8 144.8 51.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.75 -1.844 . . . . 0.0 107.759 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -108.13 -3.22 18.79 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.447 ' H ' ' HG1' ' A' ' 14' ' ' THR . 6.6 p -106.55 121.38 44.19 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.8 p -144.59 148.86 34.89 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.074 -1.016 . . . . 0.0 110.121 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.5 p -74.12 -42.39 60.11 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.545 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 11.8 tp -143.67 130.88 20.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.202 -0.936 . . . . 0.0 108.691 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -77.37 127.56 32.78 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.836 -1.165 . . . . 0.0 108.801 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' NH1' HD21 ' A' ' 29' ' ' ASN . 1.7 mmt-85 -115.18 120.66 40.48 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.551 -0.718 . . . . 0.0 109.938 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -71.71 143.14 49.76 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -89.0 152.4 48.29 Favored Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 120.83 -1.169 . . . . 0.0 109.701 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -49.24 -22.82 6.02 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.13 1.22 . . . . 0.0 112.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' OD2' ' A' ' 25' ' ' ASP . 25.9 ptm -92.47 -14.41 28.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.336 -0.853 . . . . 0.0 109.776 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.24 23.13 10.71 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' OD2' ' SD ' ' A' ' 23' ' ' MET . 35.9 m-20 -103.35 117.22 60.69 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.03 -1.277 . . . . 0.0 108.825 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' SER . 14.6 Cg_exo -53.05 135.14 58.33 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 120.283 1.137 . . . . 0.0 112.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -139.88 159.65 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 O-C-N 121.109 -0.994 . . . . 0.0 110.246 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.4 153.06 25.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.218 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.549 HD21 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -49.96 -32.02 13.93 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.96 -1.088 . . . . 0.0 112.123 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -51.77 28.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.319 -1.488 . . . . 0.0 110.312 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 m -57.06 -43.85 82.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.969 -1.082 . . . . 0.0 110.567 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.83 -51.54 54.58 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.601 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.215 -1.168 . . . . 0.0 109.885 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.06 -41.7 92.91 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 109.551 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 39' ' ' GLN . 19.9 t80 -68.89 -48.12 64.15 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.659 -0.651 . . . . 0.0 110.44 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.02 -41.2 91.68 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 120.013 -1.68 . . . . 0.0 110.6 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.81 -38.58 76.66 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.052 -1.03 . . . . 0.0 110.871 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.0 m-70 -119.49 -9.16 9.9 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.042 -1.036 . . . . 0.0 112.097 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.702 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.3 tt0 43.02 51.2 5.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.353 -1.467 . . . . 0.0 111.123 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.84 152.04 13.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -85.78 132.61 34.09 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.177 -0.952 . . . . 0.0 108.862 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.744 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -119.61 150.0 49.22 Favored Pre-proline 0 N--CA 1.507 2.4 0 O-C-N 121.326 -0.859 . . . . 0.0 109.47 -179.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -51.66 150.33 16.94 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 120.677 0.918 . . . . 0.0 113.633 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 46' ' ' MET . 5.8 mp -67.08 -19.12 65.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.837 -0.539 . . . . 0.0 110.646 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 2.0 t -43.53 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.09 -1.006 . . . . 0.0 110.318 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 44' ' ' LEU . 75.6 mmm -78.52 -46.64 19.07 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.026 -1.046 . . . . 0.0 110.189 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -81.33 169.23 17.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.88 . . . . 0.0 111.105 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -137.86 164.29 29.33 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -49.09 -79.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.913 . . . . 0.0 109.81 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.23 -176.73 24.55 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.25 135.91 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.368 -1.078 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -78.2 153.4 32.02 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.3 162.7 33.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.683 -1.261 . . . . 0.0 110.503 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.66 155.52 40.36 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.06 137.59 46.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.193 -0.942 . . . . 0.0 108.842 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -59.14 126.91 29.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.914 . . . . 0.0 110.436 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -68.28 -169.16 0.13 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.65 -0.656 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.96 134.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -79.26 109.78 13.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.859 -1.151 . . . . 0.0 108.997 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.9 t -109.59 124.84 51.82 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -127.43 143.62 51.18 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.51 50.65 0.62 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -60.01 -40.97 91.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.175 -1.191 . . . . 0.0 108.776 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -70.18 -25.62 63.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.415 -0.803 . . . . 0.0 109.279 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 65' ' ' ARG . 7.1 mmt-85 -73.1 149.31 43.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 109.885 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 66' ' ' ARG . 23.8 mmt-85 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.859 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.41 " O5'" ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.487 3.359 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.448 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.467 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 112.06 5.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.559 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 0 O4'-C1'-N19 110.54 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.5 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.491 " O3'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 O4'--C1' 1.451 2.368 1 O4'-C1'-N19 112.45 5.813 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.893 0 C4'-C3'-C2' 106.148 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.568 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.66 1 O4'-C1'-N19 111.471 4.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.641 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.138 2.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.568 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.297 4.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.567 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.899 5.123 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.492 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.946 1 O4'-C1'-N19 111.556 4.694 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.492 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.271 1 O4'-C1'-N19 111.306 4.382 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.518 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 O4'--C1' 1.449 2.215 1 O4'-C1'-N19 111.57 4.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.525 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.91 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.534 " O3'" ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 112.328 5.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.103 0 C3'-C2'-C1' 107.36 3.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.448 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.543 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.252 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.806 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' O ' ' OG1' ' A' ' 5' ' ' THR . 1.3 mmp_? -69.87 -36.02 75.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' ARG . . . -36.22 115.78 0.36 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.392 0.615 . . . . 0.0 110.946 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 1.03 62.63 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.214 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 2' ' ' ARG . 32.3 m -59.47 120.81 10.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.572 -1.546 . . . . 0.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 m -116.46 140.03 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.2 t -62.95 118.55 7.96 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.592 -1.317 . . . . 0.0 110.494 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -60.14 -40.03 88.42 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.087 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -76.16 -39.69 54.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.956 -1.09 . . . . 0.0 112.481 -177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.6 p -128.31 15.13 6.68 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.691 -1.256 . . . . 0.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 7' ' ' CYS . 95.2 mt-30 56.1 0.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.846 -1.159 . . . . 0.0 113.301 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -65.37 153.11 42.15 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.962 -1.711 . . . . 0.0 109.434 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 t -114.01 -7.96 13.08 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 121.201 -0.937 . . . . 0.0 109.191 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -97.5 118.64 34.43 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -145.08 147.42 32.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 p -77.14 -37.18 54.5 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 8.7 tp -149.06 131.14 15.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -78.94 129.31 34.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 108.925 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.794 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.3 mmt180 -113.65 122.68 47.92 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.222 -0.924 . . . . 0.0 109.514 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -71.94 140.53 49.22 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.029 -1.67 . . . . 0.0 107.536 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.34 160.48 37.01 Favored Pre-proline 0 N--CA 1.506 2.374 0 O-C-N 120.809 -1.182 . . . . 0.0 109.597 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.18 -20.76 15.12 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 121.305 1.337 . . . . 0.0 112.721 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -96.51 -8.32 32.35 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.016 . . . . 0.0 109.554 -179.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.29 27.78 19.44 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.041 -1.623 . . . . 0.0 109.041 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 5.9 m-20 -103.41 109.93 62.79 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.16 134.47 30.36 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.04 1.05 . . . . 0.0 113.357 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 m -138.35 159.81 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.872 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -81.92 157.86 24.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.851 -1.156 . . . . 0.0 109.952 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.794 ' ND2' HH21 ' A' ' 19' ' ' ARG . 51.1 t-20 -49.79 -42.27 46.36 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.488 -0.758 . . . . 0.0 112.111 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.08 59.15 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.594 -1.316 . . . . 0.0 110.658 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 35' ' ' TYR . 29.5 m -54.85 -45.87 74.6 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.803 -1.186 . . . . 0.0 110.699 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.04 67.07 Favored Glycine 0 C--N 1.284 -2.33 0 C-N-CA 119.162 -1.494 . . . . 0.0 110.983 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.84 -58.99 3.22 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.038 -1.272 . . . . 0.0 111.254 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.7 t80 -60.1 -42.25 94.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.62 -1.3 . . . . 0.0 110.242 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.9 t80 -64.7 -44.8 89.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.984 -1.072 . . . . 0.0 109.172 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.06 -43.69 95.23 Favored 'General case' 0 C--N 1.291 -1.978 0 O-C-N 120.287 -1.508 . . . . 0.0 109.983 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.76 -39.97 63.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.198 -0.939 . . . . 0.0 111.611 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.566 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-70 -114.25 -6.66 12.99 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.1 -1.0 . . . . 0.0 112.358 -176.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 35.58 48.9 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.861 -1.15 . . . . 0.0 112.723 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.45 143.34 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.198 -0.939 . . . . 0.0 108.789 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -87.82 137.21 32.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.702 -0.624 . . . . 0.0 109.539 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 15.9 mmm180 -107.02 150.47 39.87 Favored Pre-proline 0 N--CA 1.506 2.356 0 O-C-N 121.019 -1.051 . . . . 0.0 108.827 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' THR . 10.2 Cg_endo -63.0 45.8 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 120.567 0.845 . . . . 0.0 113.245 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ARG . 8.9 mp 45.87 13.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.232 -0.918 . . . . 0.0 111.703 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' PRO . 9.7 t -73.11 -10.1 59.42 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 120.585 -1.322 . . . . 0.0 109.384 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.643 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.8 tpt -97.72 -18.13 19.01 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.348 -0.845 . . . . 0.0 111.12 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.67 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -68.9 140.08 55.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.352 -1.467 . . . . 0.0 110.622 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 50' ' ' GLY . 8.0 mtmp? -115.01 128.68 56.42 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.61 6.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 111.282 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.613 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.19 167.04 30.66 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.634 -1.291 . . . . 0.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -94.64 114.69 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.322 -1.105 . . . . 0.0 108.188 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.2 167.09 22.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.172 -1.58 . . . . 0.0 110.187 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.31 161.09 36.75 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.508 0.671 . . . . 0.0 109.618 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' NH2' " O3'" ' B' ' 112' ' ' ' DA' . 23.5 mtp180 -146.78 162.2 39.06 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.464 0.649 . . . . 0.0 109.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -58.52 140.57 53.91 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.329 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' NH1' " O3'" ' C' ' 125' ' ' ' DT' . 20.0 mmt180 -62.01 127.14 29.98 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.424 -0.798 . . . . 0.0 109.472 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -66.12 -169.36 0.07 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.079 . . . . 0.0 110.054 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -48.66 146.77 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.2 p -82.77 154.71 24.62 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.953 -1.092 . . . . 0.0 109.089 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 t -150.24 55.33 0.93 Allowed 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.24 -36.39 81.85 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.16 0.505 . . . . 0.0 109.919 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.96 178.85 31.43 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -155.91 159.98 39.75 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.384 -1.068 . . . . 0.0 109.168 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -66.5 126.8 30.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.072 -1.017 . . . . 0.0 109.254 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 65' ' ' ARG . 13.8 ttt-85 -149.7 109.77 4.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 108.681 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.628 -179.446 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.843 3.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.474 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.699 4.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.508 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.565 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C1'-N19 112.29 5.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.412 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.205 1 O4'-C1'-N19 111.608 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.488 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.934 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.57 4.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 0 C3'-C2'-C1' 106.894 2.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.527 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.385 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.527 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.418 " O5'" H2'' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.08 1 O4'-C1'-N19 111.319 4.399 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.481 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.481 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.918 5.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.556 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.256 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.169 0 O4'-C1'-N19 110.642 3.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.412 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.558 1 O4'-C1'-N19 112.272 5.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.407 ' OP1' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.422 3.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 1 O4'-C1'-N19 111.463 4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.508 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.352 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.413 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 mttp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.401 HH12 ' HB2' ' A' ' 18' ' ' TRP . 18.9 mmt180 -69.51 -33.81 73.37 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.64 118.48 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.19 0.519 . . . . 0.0 111.035 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.3 -7.66 77.57 Favored Glycine 0 N--CA 1.499 2.838 0 O-C-N 121.142 -0.973 . . . . 0.0 111.142 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -68.31 111.85 4.84 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.85 -1.382 . . . . 0.0 109.734 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.57 142.86 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.3 t -61.83 116.07 4.53 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 120.7 -1.25 . . . . 0.0 110.197 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -60.02 -39.02 84.4 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.479 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -76.24 -39.31 54.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.826 -1.171 . . . . 0.0 112.47 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.7 p -129.49 11.12 5.76 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-N 120.627 1.558 . . . . 0.0 112.654 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.2 tt0 64.2 -2.6 0.57 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.822 -1.174 . . . . 0.0 113.684 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -61.66 159.17 13.84 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 119.431 -2.043 . . . . 0.0 109.019 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -135.59 13.05 3.46 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.923 -1.111 . . . . 0.0 108.688 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 10.5 p -114.79 48.95 1.08 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -76.86 148.14 36.68 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.233 -0.917 . . . . 0.0 112.071 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -78.47 -39.05 39.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 3.6 tp -143.42 130.31 20.49 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.401 ' HB2' HH12 ' A' ' 2' ' ' ARG . 77.9 m95 -81.25 128.24 33.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.972 -1.08 . . . . 0.0 109.067 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.668 HH21 ' ND2' ' A' ' 29' ' ' ASN . 22.8 mmt180 -113.84 115.36 27.62 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.493 -0.754 . . . . 0.0 109.066 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 19.8 tpt180 -66.25 141.55 57.99 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.764 ' HG ' ' H ' ' A' ' 25' ' ' ASP . 1.7 p -91.11 151.79 43.46 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 120.868 -1.145 . . . . 0.0 109.29 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -47.28 -24.65 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.288 1.326 . . . . 0.0 113.304 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -90.47 -17.34 27.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.256 -0.903 . . . . 0.0 109.521 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 101.61 23.15 9.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.764 ' H ' ' HG ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -101.13 111.67 63.84 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.192 -1.181 . . . . 0.0 109.479 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -48.5 129.49 19.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 CA-C-N 120.167 1.095 . . . . 0.0 112.647 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.98 160.29 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 O-C-N 121.327 -0.858 . . . . 0.0 110.086 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.93 158.85 22.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.03 -1.044 . . . . 0.0 111.211 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.668 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.0 t-20 -44.3 -46.22 9.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.879 -178.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' HB2' HH12 ' A' ' 47' ' ' ARG . . . -67.97 -51.29 49.1 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.806 -1.184 . . . . 0.0 111.298 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.1 m -55.42 -46.49 76.66 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.687 -1.258 . . . . 0.0 109.372 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.21 59.62 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 119.327 -1.416 . . . . 0.0 110.425 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -52.83 21.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.069 -1.254 . . . . 0.0 110.344 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE2' ' OP1' ' C' ' 122' ' ' ' DT' . 20.2 t80 -59.98 -47.44 85.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.794 -1.191 . . . . 0.0 109.534 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.3 t80 -60.07 -45.17 93.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.98 -47.84 84.16 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 119.922 -1.737 . . . . 0.0 110.308 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.5 mp -70.17 -40.04 74.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.014 -1.054 . . . . 0.0 111.325 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 76.4 m-70 -108.14 -20.09 13.27 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.954 -1.091 . . . . 0.0 112.288 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 35' ' ' TYR . 54.0 tt0 47.49 52.95 11.73 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.347 -1.471 . . . . 0.0 111.188 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -150.02 150.28 13.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -85.92 134.15 33.9 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.121 -0.987 . . . . 0.0 109.265 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -120.09 152.5 54.46 Favored Pre-proline 0 N--CA 1.508 2.448 0 O-C-N 121.265 -0.897 . . . . 0.0 109.863 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.9 Cg_endo -58.94 152.44 58.17 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.094 1.863 . . . . 0.0 113.06 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.12 24.52 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.491 -0.756 . . . . 0.0 111.082 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.521 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -62.42 -14.82 44.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.666 -1.271 . . . . 0.0 109.558 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.472 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 63.5 mmm -100.86 -14.63 17.88 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.285 -0.885 . . . . 0.0 110.404 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.4 mmp_? -83.11 136.26 34.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.048 -1.033 . . . . 0.0 112.023 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.7 mtpt -134.54 157.52 46.32 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LYS . 32.1 m-20 -41.73 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.551 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.42 -172.41 19.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.5 mt -90.69 145.16 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 121.136 -1.214 . . . . 0.0 109.251 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -71.96 147.3 47.08 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.05 158.55 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.856 -1.152 . . . . 0.0 110.185 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 55' ' ' ASN . 38.0 ttm180 -152.2 163.37 39.53 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.814 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 74.3 m-80 -49.6 132.72 21.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.137 -0.977 . . . . 0.0 108.502 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' NH1' ' OP1' ' C' ' 126' ' ' ' DC' . 66.5 ttt180 -59.01 131.65 51.69 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.705 0.764 . . . . 0.0 111.365 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.17 157.27 3.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.764 -0.585 . . . . 0.0 109.983 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.87 143.43 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.063 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.7 p -75.0 125.27 28.57 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.239 -0.913 . . . . 0.0 109.029 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 t -130.93 126.98 37.53 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.455 -0.778 . . . . 0.0 109.56 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -138.3 139.85 39.31 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.64 153.94 46.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -78.32 164.79 24.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.415 -1.05 . . . . 0.0 108.685 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -54.32 133.39 45.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.945 -1.097 . . . . 0.0 109.673 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -116.67 14.82 15.45 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.585 -0.697 . . . . 0.0 109.616 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.764 -179.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.286 0 O4'-C1'-N19 110.552 3.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.263 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.077 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.018 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.949 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.599 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 2.035 1 O4'-C1'-N19 112.559 5.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.573 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.637 0 O4'-C1'-N19 110.987 3.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.506 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.641 1 O4'-C1'-N19 111.333 4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.422 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.57 " C4'" HH21 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.618 1 O4'-C1'-N19 112.389 5.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.406 " H5'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.577 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.759 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.33 1 O4'-C1'-N19 111.464 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.509 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.577 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.992 1 O4'-C1'-N19 111.706 4.882 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.519 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.962 5.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.519 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.387 4.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.432 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-N19 110.955 3.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.462 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 112.121 5.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.467 ' H41' ' H61' ' B' ' 108' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.037 0 C3'-C2'-C1' 107.315 3.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.406 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.466 3.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.219 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 3' ' ' ALA . 47.2 pttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.646 0.736 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.5 ' NH2' ' H1 ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -75.23 18.43 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.07 -1.019 . . . . 0.0 108.992 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 1' ' ' LYS . . . -89.68 107.24 18.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.323 -0.861 . . . . 0.0 108.849 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 14.37 40.38 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.144 -1.983 . . . . 0.0 108.144 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -61.09 119.86 9.16 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.28 -1.129 . . . . 0.0 110.42 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.15 140.74 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.1 t -66.16 118.99 10.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.652 -1.28 . . . . 0.0 110.53 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -60.84 -39.97 91.06 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.565 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.33 -39.92 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.941 -1.1 . . . . 0.0 112.234 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 p -129.04 7.16 5.49 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 120.37 1.441 . . . . 0.0 112.208 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 7' ' ' CYS . 38.7 tp60 62.23 1.67 0.74 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.327 -1.483 . . . . 0.0 112.74 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -64.23 154.03 36.23 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.119 -1.613 . . . . 0.0 108.244 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -114.09 -4.27 13.18 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.045 -1.035 . . . . 0.0 109.074 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -103.73 120.56 41.19 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 p -145.43 148.34 33.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.092 -1.005 . . . . 0.0 109.841 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.412 ' HG1' HD21 ' A' ' 29' ' ' ASN . 42.9 p -74.82 -41.16 60.45 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.599 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 5.9 tp -145.62 131.09 18.71 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -77.87 128.62 34.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.692 HH21 ' ND2' ' A' ' 29' ' ' ASN . 28.3 mmt180 -111.85 178.15 4.41 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -131.99 140.95 49.12 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.83 161.82 32.7 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 120.827 -1.171 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -52.67 -18.02 8.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.455 1.436 . . . . 0.0 113.099 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.3 -2.72 41.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.94 -1.1 . . . . 0.0 109.698 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.48 27.36 27.6 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.6 117.16 65.67 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.207 -1.172 . . . . 0.0 109.69 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -52.1 138.15 53.67 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 CA-C-N 119.987 1.031 . . . . 0.0 112.007 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.28 159.81 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.228 -0.92 . . . . 0.0 110.342 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.7 159.73 21.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.109 -0.995 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.692 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.2 t-20 -47.68 -38.0 14.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.495 -0.753 . . . . 0.0 111.931 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -50.56 18.35 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.611 -1.306 . . . . 0.0 111.488 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CZ ' ' A' ' 42' ' ' ARG . 65.3 m -57.78 -43.12 85.37 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.451 -1.405 . . . . 0.0 109.849 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.57 -53.78 36.72 Favored Glycine 0 N--CA 1.484 1.851 0 C-N-CA 119.315 -1.421 . . . . 0.0 110.421 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.84 -47.61 74.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -1.148 . . . . 0.0 110.734 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.791 -1.193 . . . . 0.0 109.258 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.2 t80 -62.22 -49.09 77.14 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.717 0.77 . . . . 0.0 110.298 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -57.01 -41.74 79.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.046 -1.034 . . . . 0.0 111.704 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.0 -49.97 75.56 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.242 -1.536 . . . . 0.0 109.709 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 73.8 m-70 -101.7 -71.19 0.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER 116.15 55.44 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 124.082 0.953 . . . . 0.0 110.034 -179.591 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -147.43 160.65 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -84.59 153.1 23.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 108.668 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.09 149.95 61.82 Favored Pre-proline 0 N--CA 1.507 2.421 0 O-C-N 120.962 -1.086 . . . . 0.0 109.659 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.0 Cg_exo -48.9 151.6 5.38 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 120.74 0.96 . . . . 0.0 112.779 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.35 7.93 2.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.26 -0.9 . . . . 0.0 109.229 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 43' ' ' PRO . 81.4 p -64.13 -12.7 42.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 108.847 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttt -96.48 -7.48 34.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -80.18 131.36 35.7 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.421 0.629 . . . . 0.0 110.665 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' C ' ' H ' ' A' ' 50' ' ' GLY . 61.4 tttm -122.73 139.69 53.7 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 4.37 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.126 -0.984 . . . . 0.0 111.029 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.594 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.9 175.99 31.98 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.46 135.63 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.079 -1.248 . . . . 0.0 108.575 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.97 153.73 34.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 108.452 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.03 159.63 41.32 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.948 -1.095 . . . . 0.0 110.057 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.57 HH21 " C4'" ' B' ' 112' ' ' ' DA' . 9.2 ptm180 -152.3 176.4 11.65 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.371 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.06 135.36 57.75 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.137 -0.977 . . . . 0.0 108.708 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 92.3 mtt180 -70.04 138.4 52.1 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.545 0.688 . . . . 0.0 112.503 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 28.8 ttmt -40.44 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.05 131.14 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -50.34 127.7 17.95 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.745 -1.222 . . . . 0.0 111.074 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.536 ' HG ' ' HZ3' ' A' ' 61' ' ' LYS . 6.4 t -53.37 -59.96 3.9 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.46 0.648 . . . . 0.0 109.286 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HZ3' ' HG ' ' A' ' 60' ' ' SER . 8.5 ptpp? -157.81 125.37 5.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.421 -0.799 . . . . 0.0 109.753 179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.24 37.66 0.07 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.352 -1.087 . . . . 0.0 109.965 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.08 142.42 52.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.142 -0.974 . . . . 0.0 109.722 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 65' ' ' ARG . 11.4 mmt-85 -78.56 137.04 37.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.025 -1.047 . . . . 0.0 108.81 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.562 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.145 4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.489 ' OP2' ' NH2' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.456 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.87 3.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.534 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.136 1 O4'-C1'-N19 113.015 6.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 O4'-C1'-N19 110.568 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 112.423 5.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.488 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.709 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 1 O4'-C1'-N19 111.281 4.351 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 O4'-C1'-N19 110.633 3.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.642 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.417 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.601 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.488 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.962 1 O4'-C1'-N19 111.639 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.474 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 112.205 5.506 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.56 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.42 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.222 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.741 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.91 0 O4'-C1'-N19 110.371 3.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.242 4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.472 0 O4'-C1'-N19 110.618 3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 1 O4'-C1'-N19 111.576 4.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.869 0 O4'-C1'-N19 110.794 3.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 1 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.489 ' NH2' ' OP2' ' B' ' 105' ' ' ' DC' . 8.2 mpt_? -101.52 -0.5 34.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.422 -0.799 . . . . 0.0 109.949 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.54 114.06 12.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.044 -1.035 . . . . 0.0 110.663 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 -12.31 44.04 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -69.16 110.45 4.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.661 -1.494 . . . . 0.0 110.018 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -121.21 141.37 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.0 t -61.9 120.18 10.25 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.817 -1.177 . . . . 0.0 110.931 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.698 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.93 -39.18 43.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.324 -0.95 . . . . 0.0 112.344 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' C ' ' H ' ' A' ' 12' ' ' THR . 12.9 p -128.37 12.06 6.44 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 120.117 1.326 . . . . 0.0 112.254 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 7' ' ' CYS . 47.8 mt-30 55.33 -1.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.828 -1.17 . . . . 0.0 112.867 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' HG1' HH21 ' A' ' 47' ' ' ARG . 6.0 t -61.71 155.54 22.49 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.214 -1.554 . . . . 0.0 107.902 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.5 p -131.92 10.92 4.67 Favored 'General case' 0 N--CA 1.509 2.518 0 O-C-N 120.884 -1.135 . . . . 0.0 109.706 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 17.8 p -110.01 47.66 0.94 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.245 -0.909 . . . . 0.0 108.596 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -77.93 148.52 34.49 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.615 -0.678 . . . . 0.0 111.483 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.431 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 15.9 p -76.59 -37.92 55.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.3 tp -141.18 131.19 24.59 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -79.72 129.54 34.56 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.905 -1.122 . . . . 0.0 109.163 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -114.17 179.77 3.86 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.49 0.662 . . . . 0.0 109.727 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -131.68 143.56 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.51 159.59 38.56 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.126 -0.984 . . . . 0.0 108.81 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -16.3 5.97 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.238 1.292 . . . . 0.0 112.038 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -94.48 -10.61 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.325 -0.859 . . . . 0.0 109.994 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.35 24.56 26.15 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.8 m-20 -99.21 116.66 64.98 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.467 -1.02 . . . . 0.0 109.276 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -49.42 131.55 27.79 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.023 1.044 . . . . 0.0 112.372 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.53 159.39 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.432 -0.792 . . . . 0.0 110.125 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 p -82.64 154.77 24.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.154 -0.966 . . . . 0.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -50.02 -31.6 13.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.259 -0.901 . . . . 0.0 111.078 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.74 15.92 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.709 -1.244 . . . . 0.0 111.001 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.5 m -58.37 -41.21 84.28 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.398 -1.439 . . . . 0.0 110.454 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.14 64.75 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 118.621 -1.752 . . . . 0.0 109.608 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.99 -51.32 33.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.44 -1.035 . . . . 0.0 110.549 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 15.1 t80 -60.01 -47.55 85.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.123 . . . . 0.0 109.893 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.0 t80 -60.0 -45.48 92.62 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.694 0.759 . . . . 0.0 109.848 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -60.07 -41.31 92.12 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 120.082 -1.636 . . . . 0.0 110.526 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.78 -40.97 72.3 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.851 -1.156 . . . . 0.0 111.989 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.56 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 72.5 m-70 -114.78 -10.35 12.41 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.889 -1.132 . . . . 0.0 111.36 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.8 tt0 43.55 53.68 5.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.656 -1.277 . . . . 0.0 111.449 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 m -149.13 156.4 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -85.6 124.63 32.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.772 -1.205 . . . . 0.0 109.438 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -96.58 131.96 27.24 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.205 -0.935 . . . . 0.0 109.819 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -45.51 152.2 0.92 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 119.968 1.024 . . . . 0.0 113.01 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.41 5.41 1.78 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.476 -0.765 . . . . 0.0 111.337 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -58.45 -13.22 4.98 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 110.248 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ttt -94.31 -11.23 30.51 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.933 -1.104 . . . . 0.0 110.275 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 HH21 ' HG1' ' A' ' 12' ' ' THR . 18.3 mmm180 -79.74 138.01 37.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.787 -1.196 . . . . 0.0 109.597 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' C ' ' H ' ' A' ' 50' ' ' GLY . 9.3 mtpm? -124.31 142.51 51.21 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.25 2.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.325 -0.859 . . . . 0.0 112.349 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -152.32 171.99 31.55 Favored Glycine 0 N--CA 1.495 2.616 0 O-C-N 120.41 -1.431 . . . . 0.0 109.958 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -87.87 136.17 23.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 O-C-N 121.26 -1.141 . . . . 0.0 109.055 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.78 146.04 31.16 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.74 159.29 42.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.933 -1.104 . . . . 0.0 109.206 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -150.76 156.57 41.56 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -53.77 139.88 31.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.452 -0.78 . . . . 0.0 109.423 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -62.59 131.24 48.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.423 -0.798 . . . . 0.0 110.665 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -70.26 -168.66 0.24 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 111.023 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.0 m -55.72 145.26 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.629 -0.67 . . . . 0.0 109.756 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -89.33 57.95 4.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 0.0 108.621 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 t -61.53 -36.81 81.61 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.679 0.752 . . . . 0.0 109.027 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.89 -39.81 86.6 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.98 43.49 2.26 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -87.88 122.51 31.59 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.281 . . . . 0.0 110.174 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -142.23 154.4 44.75 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 65' ' ' ARG . 14.8 ptt-85 -80.04 6.94 10.11 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.974 -1.079 . . . . 0.0 109.333 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HE ' ' CA ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.672 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.602 4.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.472 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.529 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.165 0 C3'-C2'-C1' 107.276 3.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.565 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.447 2.063 1 O4'-C1'-N19 112.232 5.54 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.565 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.363 3.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.07 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.617 1 O4'-C1'-N19 111.907 5.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 112.382 5.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.796 0 O4'-C1'-N19 110.271 3.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . 0.479 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.551 1 O4'-C1'-N19 112.402 5.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.451 " O5'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 1 O4'-C1'-N19 111.197 4.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.492 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 112.114 5.392 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.492 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 112.194 5.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.501 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.413 1 O4'-C1'-N19 112.103 5.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.492 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.492 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.212 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.529 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.2 0 O4'-C1'-N19 110.489 3.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.425 3.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.813 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.452 ' O ' ' OG1' ' A' ' 5' ' ' THR . 56.2 tttm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -99.59 -11.07 21.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.227 -0.92 . . . . 0.0 109.804 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.77 120.01 15.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.159 -0.963 . . . . 0.0 110.725 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.46 -16.4 10.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 3.1 m -62.89 119.95 10.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -1.205 . . . . 0.0 110.619 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -121.5 140.65 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.5 t -62.86 117.23 6.08 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 120.804 -1.185 . . . . 0.0 110.413 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.7 m -60.19 -39.94 88.27 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 109.988 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -74.05 -39.16 63.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.879 -1.138 . . . . 0.0 111.666 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' THR . 4.1 p -133.58 16.92 3.97 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.644 -1.285 . . . . 0.0 112.549 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' CYS . 40.8 tt0 51.74 -1.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.576 -1.327 . . . . 0.0 114.151 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 t -57.07 145.06 32.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 119.339 -2.101 . . . . 0.0 107.996 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.8 p -107.28 -9.76 15.98 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.143 -0.973 . . . . 0.0 109.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 p -98.29 119.37 36.85 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -145.3 149.12 34.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.154 -0.966 . . . . 0.0 109.492 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 p -78.26 -38.88 41.72 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 2.8 tp -148.06 131.32 16.49 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.221 -0.924 . . . . 0.0 108.649 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -80.82 130.26 34.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.021 -1.05 . . . . 0.0 108.788 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.763 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.0 mmt180 -115.6 121.41 42.54 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.056 -1.027 . . . . 0.0 109.656 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 141.24 54.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.985 -1.697 . . . . 0.0 106.671 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.635 ' HG ' ' H ' ' A' ' 23' ' ' MET . 0.2 OUTLIER -90.44 157.47 44.57 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 120.787 -1.195 . . . . 0.0 109.658 -179.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -50.71 -21.87 8.72 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.13 1.22 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.635 ' H ' ' HG ' ' A' ' 21' ' ' SER . 10.5 tpt -96.08 -12.17 25.24 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -0.927 . . . . 0.0 109.218 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.59 27.27 10.72 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -104.66 110.21 64.04 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.169 -1.195 . . . . 0.0 109.166 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -49.88 131.18 29.1 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 119.98 1.028 . . . . 0.0 112.757 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -133.95 161.77 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 O-C-N 121.669 -0.645 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.18 156.21 23.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.825 -1.172 . . . . 0.0 109.443 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.763 ' ND2' HH21 ' A' ' 19' ' ' ARG . 38.7 t-20 -45.7 -46.64 15.01 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.516 -0.74 . . . . 0.0 112.085 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -50.21 71.67 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.683 -1.261 . . . . 0.0 111.048 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.7 m -55.77 -43.14 76.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.607 -1.308 . . . . 0.0 110.075 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.71 72.93 Favored Glycine 0 C--N 1.291 -1.963 0 C-N-CA 119.166 -1.493 . . . . 0.0 110.417 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.34 -51.94 26.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.142 -1.211 . . . . 0.0 110.669 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.94 -41.89 92.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.741 -1.225 . . . . 0.0 109.201 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.711 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.5 t80 -66.32 -48.15 71.21 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-O 121.69 0.757 . . . . 0.0 109.863 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 119.862 -1.774 . . . . 0.0 109.892 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.08 -41.07 71.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 111.165 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 70.3 m-70 -114.52 -10.16 12.59 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 120.835 -1.166 . . . . 0.0 112.007 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.711 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.5 tt0 41.27 55.84 3.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.54 -1.35 . . . . 0.0 112.027 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -149.54 153.47 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 6.9 p30 -83.73 123.64 30.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.91 -1.119 . . . . 0.0 109.587 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 42' ' ' ARG . 9.6 ttt-85 -97.67 132.38 25.18 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -48.42 150.93 5.13 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 CA-C-N 119.86 0.986 . . . . 0.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' MET . 8.4 mp -66.52 -12.59 58.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.661 -0.649 . . . . 0.0 111.807 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -46.49 -13.27 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.863 -1.148 . . . . 0.0 110.473 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' LEU . 26.8 ttt -97.74 -14.0 21.1 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.951 -1.093 . . . . 0.0 112.675 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.586 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 18.4 mmt180 -77.14 149.62 35.62 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.088 -1.633 . . . . 0.0 110.441 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ASP . 80.6 tttt -124.84 142.31 51.52 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' LYS . 73.0 m-20 -42.45 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.245 -0.909 . . . . 0.0 110.543 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.02 -173.21 24.4 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -92.63 143.4 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.252 -1.146 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -80.31 151.68 29.38 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.04 161.78 36.8 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.474 -1.391 . . . . 0.0 111.106 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -144.93 171.34 14.58 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.93 140.01 56.99 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 56' ' ' ARG . 22.6 mmt-85 -56.57 126.48 26.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.317 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 5.0 ttpm? -47.35 165.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.529 -0.732 . . . . 0.0 109.274 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.8 t -50.76 129.83 9.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 p -82.36 56.37 3.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.911 -1.118 . . . . 0.0 108.589 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.69 -0.632 . . . . 0.0 110.428 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.43 138.42 51.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.7 -1.25 . . . . 0.0 109.011 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.92 149.61 31.51 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -94.88 0.59 54.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.444 -1.033 . . . . 0.0 108.992 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -68.19 141.55 55.95 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.381 -0.824 . . . . 0.0 109.89 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.05 144.54 53.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.478 -0.764 . . . . 0.0 109.106 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.597 -179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.424 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.328 3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-N19 111.045 4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.916 1 O4'-C1'-N19 112.289 5.611 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.515 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.07 1 O4'-C1'-N19 111.023 4.029 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.41 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.45 2.289 1 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 C3'-C2'-C1' 106.971 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.544 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.802 1 O4'-C1'-N19 111.268 4.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.443 4.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.555 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.436 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.155 0 O4'-C1'-N19 110.829 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.456 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.248 1 O4'-C1'-N19 112.252 5.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.503 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.727 1 O4'-C1'-N19 111.098 4.123 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.495 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.451 2.356 1 O4'-C1'-N19 112.035 5.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.464 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.419 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.482 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.877 5.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.443 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.976 0 O4'-C1'-N19 110.377 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.423 4.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C1'-N19 110.997 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 C3'-C2'-C1' 107.13 3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.534 ' O ' ' OG1' ' A' ' 5' ' ' THR . 98.8 mttt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -43.73 -22.08 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.34 -0.85 . . . . 0.0 110.972 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -81.38 103.69 11.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.304 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 3.39 68.09 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 14.1 m -63.85 121.44 14.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -1.182 . . . . 0.0 112.09 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.66 141.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.7 t -57.7 119.58 6.87 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 120.809 -1.182 . . . . 0.0 111.188 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.02 -39.96 87.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.775 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' H ' HG11 ' A' ' 27' ' ' VAL . 98.1 m-20 -79.28 -38.13 36.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.894 -1.129 . . . . 0.0 111.245 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' GLN . 4.2 p -134.66 23.87 3.68 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.522 -1.361 . . . . 0.0 112.595 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' CYS . 10.4 pt20 27.66 58.98 0.1 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.452 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 10.2 t -99.6 140.9 33.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -99.97 -2.84 33.55 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.956 1.707 . . . . 0.0 107.931 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -110.25 119.31 38.82 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -144.36 148.57 34.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.12 -0.988 . . . . 0.0 109.551 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.664 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 5.0 p -76.83 -41.45 44.16 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.664 ' N ' ' HG1' ' A' ' 16' ' ' THR . 8.8 tp -145.32 131.5 19.45 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.329 -0.857 . . . . 0.0 108.737 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -81.63 129.62 34.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 108.853 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.69 HH21 ' ND2' ' A' ' 29' ' ' ASN . 16.0 mmt180 -112.23 117.17 31.8 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.137 -0.977 . . . . 0.0 108.75 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' SER . 7.6 tpp180 -86.38 85.0 7.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 119.979 -1.701 . . . . 0.0 108.645 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -33.74 157.37 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.813 -0.554 . . . . 0.0 111.923 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.21 -8.85 2.81 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.623 1.549 . . . . 0.0 112.847 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.6 -24.65 19.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.336 -0.852 . . . . 0.0 109.476 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.35 17.07 18.81 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 4.8 m-20 -102.61 129.37 26.08 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.794 -1.415 . . . . 0.0 109.214 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -65.09 135.92 45.81 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 CA-C-N 120.16 1.093 . . . . 0.0 113.588 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG11 ' H ' ' A' ' 9' ' ' ASN . 6.3 m -142.76 161.01 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.389 -0.819 . . . . 0.0 109.29 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 p -83.75 155.95 22.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.921 -1.112 . . . . 0.0 110.046 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.69 ' ND2' HH21 ' A' ' 19' ' ' ARG . 49.4 t-20 -49.54 -35.52 20.58 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.489 -0.757 . . . . 0.0 111.56 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' CB ' HH22 ' A' ' 42' ' ' ARG . . . -68.68 -49.0 62.49 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.596 -1.315 . . . . 0.0 110.216 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.535 ' CA ' HH21 ' A' ' 42' ' ' ARG . 56.9 m -61.63 -43.97 97.87 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.955 -1.091 . . . . 0.0 109.881 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.33 -51.3 43.09 Favored Glycine 0 C--N 1.291 -1.925 0 C-N-CA 119.154 -1.498 . . . . 0.0 110.39 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 mt -69.41 -49.82 51.59 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.161 -1.199 . . . . 0.0 110.736 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.517 -1.364 . . . . 0.0 109.652 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.0 t80 -67.77 -49.66 61.29 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.821 0.819 . . . . 0.0 109.884 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.98 -40.71 90.04 Favored 'General case' 0 C--N 1.289 -2.03 0 O-C-N 120.209 -1.557 . . . . 0.0 109.873 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.52 -40.02 73.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.403 -0.811 . . . . 0.0 111.515 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 77.1 m-70 -120.08 -4.68 10.04 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.92 -1.113 . . . . 0.0 111.991 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.4 tt0 39.58 55.63 2.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.882 -1.136 . . . . 0.0 111.612 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.55 150.84 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -85.53 129.32 34.85 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.153 -0.967 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.535 HH21 ' CA ' ' A' ' 31' ' ' CYS . 14.1 ptt180 -101.87 151.57 37.99 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.206 -0.934 . . . . 0.0 110.198 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.8 Cg_endo -63.63 149.19 91.52 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.193 1.262 . . . . 0.0 112.334 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.54 9.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.401 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 43' ' ' PRO . 12.2 p -60.97 -15.56 32.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.833 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.24 -8.66 32.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.258 -0.901 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -77.39 125.02 28.66 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' C ' ' H ' ' A' ' 50' ' ' GLY . 23.2 ttpp -122.27 137.02 54.99 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.66 1.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.279 -0.888 . . . . 0.0 111.849 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.17 173.05 32.09 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.563 -1.335 . . . . 0.0 110.377 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mt -90.41 139.88 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.026 . . . . 0.0 108.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -80.28 148.48 30.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.162 -0.961 . . . . 0.0 109.108 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 161.97 35.81 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.742 -1.224 . . . . 0.0 110.466 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -151.08 159.15 44.68 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.48 136.0 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.995 -1.065 . . . . 0.0 109.016 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 122.54 7.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -69.84 -177.05 1.19 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 110.282 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.6 t -43.32 148.37 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.515 -0.741 . . . . 0.0 109.663 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.2 p -63.43 137.8 58.28 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.256 -0.978 . . . . 0.0 108.994 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.1 m -130.9 138.94 50.02 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.869 0.842 . . . . 0.0 109.842 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' LYS . 17.2 ptmt -174.12 -167.95 0.37 Allowed 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.11 47.39 0.24 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 tmtm? -59.94 -46.11 90.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -1.151 . . . . 0.0 109.265 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -69.25 139.99 54.47 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.161 -0.962 . . . . 0.0 108.946 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.4 ttt-85 -138.37 133.27 32.72 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.017 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 1 O4'-C1'-N19 111.166 4.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.392 3.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.535 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.445 1.944 1 O4'-C1'-N19 112.091 5.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.505 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.563 1 O4'-C1'-N19 111.792 4.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 112.351 5.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.472 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C3'-C2'-C1' 107.095 3.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.275 1 O4'-C1'-N19 111.337 4.421 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.487 " O5'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.503 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.382 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 111.664 4.83 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.56 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.842 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.122 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.49 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.987 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.49 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 111.551 4.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.835 0 C3'-C2'-C1' 107.372 3.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 1 O4'-C1'-N19 111.559 4.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.542 3.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.937 3.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.149 4.187 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.589 0.709 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 0.15 38.65 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.495 -0.753 . . . . 0.0 109.497 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.41 114.46 13.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 0.0 110.262 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.95 -12.16 50.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -68.08 111.63 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.802 -1.411 . . . . 0.0 109.748 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.56 140.37 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -62.7 116.83 5.55 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.424 -1.423 . . . . 0.0 109.986 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m -60.05 -39.95 87.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.67 -0.644 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.71 -39.36 57.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.949 -1.094 . . . . 0.0 111.965 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -129.01 13.97 6.27 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 120.539 -1.351 . . . . 0.0 112.473 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.8 mt-30 59.18 2.34 0.28 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -62.93 147.09 51.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.788 -1.82 . . . . 0.0 108.302 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -109.75 -10.7 14.78 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 107.337 -1.356 . . . . 0.0 107.337 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.3 p -102.73 125.39 49.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -148.31 152.28 36.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.235 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -74.23 -40.37 62.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 9.1 tp -146.46 133.1 19.87 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -79.36 124.72 28.68 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.708 -1.245 . . . . 0.0 110.17 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 HH12 HD21 ' A' ' 17' ' ' LEU . 2.8 mmt-85 -115.51 128.87 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.924 -0.485 . . . . 0.0 109.745 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.47 145.43 29.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.164 -1.585 . . . . 0.0 107.11 178.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.48 158.73 42.71 Favored Pre-proline 0 N--CA 1.498 1.973 0 O-C-N 120.871 -1.143 . . . . 0.0 108.699 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -49.83 -21.98 6.62 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.495 1.463 . . . . 0.0 113.333 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -92.83 -9.57 39.9 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.987 -1.071 . . . . 0.0 109.825 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.74 21.81 27.67 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.16 113.47 63.98 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -49.02 126.54 15.35 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 CA-C-N 119.923 1.008 . . . . 0.0 112.792 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.04 158.8 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.523 -0.736 . . . . 0.0 109.9 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -82.26 156.84 24.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 0.0 109.02 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -50.0 -34.54 21.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.141 -0.974 . . . . 0.0 110.867 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.3 13.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.716 -1.24 . . . . 0.0 110.478 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.3 -44.0 88.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.827 -1.171 . . . . 0.0 110.083 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.88 -47.89 46.46 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.623 -1.275 . . . . 0.0 110.18 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.3 -51.91 32.62 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.262 -1.14 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.1 t80 -60.12 -40.51 89.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.402 -1.436 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.2 t80 -62.96 -51.48 66.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.261 -0.899 . . . . 0.0 109.921 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.01 -40.95 91.02 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.624 -1.297 . . . . 0.0 110.605 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.97 -47.66 84.92 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.913 -1.117 . . . . 0.0 108.586 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.566 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 57.3 m-70 -106.45 -72.59 0.71 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.566 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 16.5 tt0 114.22 59.01 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.986 0 CA-C-O 122.395 1.093 . . . . 0.0 108.584 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -147.96 160.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -85.26 129.16 34.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.567 -1.333 . . . . 0.0 109.532 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -92.32 130.25 38.31 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.802 . . . . 0.0 109.443 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -46.72 150.65 2.39 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 CA-C-N 120.058 1.057 . . . . 0.0 112.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.1 mp -64.59 -29.9 70.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.579 -0.701 . . . . 0.0 110.711 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 57.3 p -47.16 -15.27 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.736 -1.228 . . . . 0.0 109.471 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' LEU . 11.1 tpt -80.58 -43.97 19.74 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.382 -0.824 . . . . 0.0 110.621 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.03 172.13 14.18 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.196 -0.94 . . . . 0.0 110.91 -178.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -137.89 159.62 41.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.31 -83.27 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.463 -0.773 . . . . 0.0 110.218 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.62 -171.43 26.92 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 mt -88.87 141.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -1.202 . . . . 0.0 109.824 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.28 156.47 28.06 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.93 160.62 39.99 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.813 -1.18 . . . . 0.0 111.691 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -149.99 170.16 19.51 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.981 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -57.45 142.28 44.56 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -64.57 126.14 26.92 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.642 0.734 . . . . 0.0 110.781 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.05 139.91 50.81 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.538 0.685 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -49.2 171.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.558 -0.714 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 t -93.23 119.77 32.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.417 -0.802 . . . . 0.0 109.114 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -129.34 158.02 40.28 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.555 -0.716 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -128.12 143.11 51.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.615 -0.678 . . . . 0.0 109.506 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.03 72.99 0.23 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.0 150.4 33.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.317 -1.108 . . . . 0.0 109.206 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.06 -39.97 87.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.078 -1.014 . . . . 0.0 108.277 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -121.17 136.13 55.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.623 -0.673 . . . . 0.0 109.433 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.0 ttt-85 . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.115 179.615 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.927 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.412 " H3'" HH22 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.343 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.459 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.56 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.446 1.993 1 O4'-C1'-N19 112.647 6.059 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.56 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.509 4.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.417 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.596 3.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.417 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 112.453 5.817 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.47 0 C3'-C2'-C1' 107.01 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.566 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.537 1 O4'-C1'-N19 111.58 4.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.418 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.219 3.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.566 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.783 3.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.444 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.562 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.126 1 O4'-C1'-N19 111.733 4.916 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.562 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 112.018 5.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.421 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.206 4.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.392 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.409 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.89 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.854 1 O4'-C1'-N19 111.756 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.855 0 C3'-C2'-C1' 107.298 3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.458 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 C3'-C2'-C1' 107.228 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.622 4.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.8 mttp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.412 HH22 " H3'" ' B' ' 105' ' ' ' DC' . 9.3 mpt_? -65.57 -40.07 92.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.023 -1.048 . . . . 0.0 108.541 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.89 113.95 0.75 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.598 -0.689 . . . . 0.0 111.047 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.22 83.77 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.193 -0.942 . . . . 0.0 111.734 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 m -68.71 118.42 11.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.781 -1.423 . . . . 0.0 110.818 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -121.59 142.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.3 t -59.74 119.37 7.51 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.833 -1.167 . . . . 0.0 110.581 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -60.96 -40.15 92.25 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -77.52 -38.27 49.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.85 -1.156 . . . . 0.0 111.691 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 p -131.0 14.57 5.22 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 120.135 1.334 . . . . 0.0 113.079 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.3 mt-30 57.03 0.01 0.07 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -59.55 157.49 11.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 119.695 -1.878 . . . . 0.0 108.292 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 p -132.33 9.52 4.39 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 120.747 -1.221 . . . . 0.0 108.638 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 80.5 p -114.22 50.93 0.9 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.709 0.766 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 p -78.86 149.73 32.4 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 121.272 -0.892 . . . . 0.0 111.157 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 33.2 p -74.35 -39.02 63.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.52 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 8.7 tp -143.75 132.31 22.33 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -79.09 127.69 32.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.057 -1.027 . . . . 0.0 109.86 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' NH2' ' C8 ' ' B' ' 107' ' ' ' DG' . 5.4 mmt-85 -117.96 131.52 56.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.85 -0.531 . . . . 0.0 110.019 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.5 mmt-85 -84.14 145.23 28.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.327 -1.483 . . . . 0.0 107.605 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -91.03 152.96 44.77 Favored Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.965 -1.084 . . . . 0.0 108.655 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -44.87 -19.87 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.142 1.228 . . . . 0.0 114.082 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.27 -11.42 27.95 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.771 -1.206 . . . . 0.0 110.618 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.71 26.28 10.85 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.6 m-20 -105.92 115.04 62.04 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.165 -1.197 . . . . 0.0 109.2 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -49.0 128.51 19.47 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.084 1.066 . . . . 0.0 113.299 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.62 158.47 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.39 0 O-C-N 121.574 -0.704 . . . . 0.0 109.546 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.77 154.45 24.74 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.065 -1.022 . . . . 0.0 109.095 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -49.48 -41.19 39.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.377 -0.827 . . . . 0.0 111.483 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.12 66.3 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.482 -1.386 . . . . 0.0 110.314 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.9 m -57.42 -44.19 84.42 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.616 -1.303 . . . . 0.0 110.005 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.98 -49.92 64.31 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 118.829 -1.653 . . . . 0.0 109.99 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.82 -50.88 54.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.282 -1.128 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 34.6 t80 -59.98 -45.94 91.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.435 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.9 t80 -61.88 -46.81 87.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.647 . . . . 0.0 110.566 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -60.05 -41.56 92.59 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.15 -1.594 . . . . 0.0 110.585 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.03 -39.96 75.46 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.903 -1.123 . . . . 0.0 111.557 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.421 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 49.6 m-70 -120.08 9.03 11.06 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 120.901 -1.124 . . . . 0.0 112.171 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 35' ' ' TYR . 21.4 pt20 33.07 41.61 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.688 -1.257 . . . . 0.0 113.682 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -138.53 156.45 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.56 127.86 34.28 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.043 -1.036 . . . . 0.0 110.627 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.545 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.2 OUTLIER -92.68 134.11 28.3 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.128 -0.983 . . . . 0.0 110.397 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -43.79 151.67 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.226 1.284 . . . . 0.0 113.471 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' MET . 4.6 mp -70.04 -29.02 65.95 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.684 . . . . 0.0 110.532 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.9 p -46.75 -12.72 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.298 -0.876 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 44' ' ' LEU . 4.1 tpt -70.0 -47.19 63.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.215 -0.928 . . . . 0.0 109.911 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -83.09 171.43 13.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.306 -0.871 . . . . 0.0 111.324 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 68.4 mttm -139.3 168.01 20.79 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 1.3 p-10 -38.42 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.419 -0.801 . . . . 0.0 111.32 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.502 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -69.37 -174.01 10.68 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -89.25 140.42 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.273 -1.133 . . . . 0.0 109.087 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -74.8 147.6 41.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.51 158.06 44.57 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.886 -1.134 . . . . 0.0 110.572 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -147.56 165.54 30.04 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -49.94 138.46 15.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.183 -0.948 . . . . 0.0 108.853 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.83 131.64 47.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 111.618 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -47.84 160.54 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.494 0.664 . . . . 0.0 110.297 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.85 145.74 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.472 -0.768 . . . . 0.0 109.396 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.0 p -89.97 43.39 1.14 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.149 -0.969 . . . . 0.0 108.519 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.2 t -59.79 -38.33 81.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.631 -0.668 . . . . 0.0 109.517 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -122.1 144.38 48.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.605 -0.685 . . . . 0.0 109.347 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.27 -30.55 0.04 OUTLIER Glycine 0 N--CA 1.484 1.854 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -119.86 133.64 55.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.493 -1.004 . . . . 0.0 109.752 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -93.95 -79.71 0.41 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.399 -0.813 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -148.42 125.93 11.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.298 -0.876 . . . . 0.0 109.21 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.549 HH11 ' HG2' ' A' ' 66' ' ' ARG . 12.6 mtt-85 . . . . . 0 N--CA 1.496 1.844 0 O-C-N 120.943 -1.098 . . . . 0.0 109.706 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.135 4.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.259 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.46 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.55 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.442 1.723 1 O4'-C1'-N19 112.109 5.387 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.464 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.403 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.445 1.89 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.467 " O3'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 112.18 5.475 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.413 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.798 0 C3'-C2'-C1' 107.098 3.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.59 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.665 4.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.67 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 0 C3'-C2'-C1' 106.646 2.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.59 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.211 4.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 1 O4'-C1'-N19 111.711 4.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.473 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.473 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.066 1 O4'-C1'-N19 112.52 5.9 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 1 O4'-C1'-N19 111.956 5.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.101 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.412 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 0 O5'-C5'-C4' 114.253 2.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.458 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.476 1 O4'-C1'-N19 112.711 6.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.969 0 C3'-C2'-C1' 107.33 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.395 4.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.46 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.611 3.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 0 O4'-C1'-N19 110.717 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.166 1 O4'-C1'-N19 111.817 5.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.847 3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.5 pttp . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HD3' ' HE1' ' A' ' 18' ' ' TRP . 48.0 mtt180 -102.62 -7.19 21.99 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.701 -0.624 . . . . 0.0 109.54 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.27 118.58 13.27 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.962 -1.086 . . . . 0.0 109.516 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -16.37 12.57 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -69.99 116.9 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.796 -1.414 . . . . 0.0 110.074 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.37 141.22 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.8 t -61.45 117.83 6.2 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.513 -1.367 . . . . 0.0 110.491 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -59.94 -39.89 87.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.67 -0.644 . . . . 0.0 109.733 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -74.34 -39.2 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.013 -1.055 . . . . 0.0 111.678 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.31 14.68 3.81 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.451 -1.405 . . . . 0.0 112.987 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.8 mt-30 56.96 0.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.428 -1.42 . . . . 0.0 114.019 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -61.0 148.89 38.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 119.526 -1.984 . . . . 0.0 107.334 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 p -111.34 -9.84 14.25 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -100.22 120.53 40.04 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 p -145.48 149.17 34.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.029 -1.044 . . . . 0.0 109.605 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.3 p -72.85 -40.48 65.67 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 4.6 tp -147.37 132.55 18.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.383 -0.823 . . . . 0.0 109.024 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.423 ' HE1' ' HD3' ' A' ' 2' ' ' ARG . 71.2 m95 -80.02 129.23 34.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 0.0 108.545 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.695 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.8 mmt180 -116.09 119.98 37.59 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.089 -1.007 . . . . 0.0 109.859 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -68.31 141.07 55.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.238 -1.539 . . . . 0.0 107.088 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 155.27 43.12 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.71 -1.244 . . . . 0.0 110.143 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -47.62 -22.36 2.9 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.444 1.43 . . . . 0.0 113.54 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.5 mtp -95.17 -13.06 25.33 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.812 -1.18 . . . . 0.0 109.969 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.87 20.68 18.08 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -102.11 110.99 63.81 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.975 -1.309 . . . . 0.0 110.34 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -48.15 136.55 24.21 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 CA-C-N 120.019 1.043 . . . . 0.0 113.474 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.12 161.72 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.479 -0.763 . . . . 0.0 109.867 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.27 155.82 22.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.695 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.6 t-20 -43.71 -43.81 6.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.568 -0.707 . . . . 0.0 111.265 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.53 57.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.752 -1.218 . . . . 0.0 111.601 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -58.55 -43.68 89.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.38 -1.45 . . . . 0.0 110.183 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.64 -46.15 47.25 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.107 -1.52 . . . . 0.0 110.14 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -73.05 -52.87 12.72 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.599 -0.941 . . . . 0.0 110.879 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.07 -41.28 92.09 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 120.733 -1.229 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.75 -50.57 68.57 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.321 -0.862 . . . . 0.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.12 -41.88 89.24 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.427 -1.421 . . . . 0.0 110.873 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.6 -48.92 79.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.415 -1.428 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 64.0 m-70 -101.35 -71.71 0.7 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 48.7 tt0 109.67 57.87 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.705 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.28 163.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -85.98 138.39 32.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.952 -1.092 . . . . 0.0 110.269 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -110.25 135.12 20.61 Favored Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 121.227 -0.921 . . . . 0.0 110.161 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -45.37 151.27 1.02 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 CA-C-N 119.798 0.964 . . . . 0.0 112.489 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -71.87 -9.8 58.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 111.595 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LEU . 6.5 t -45.59 -16.75 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.817 -1.177 . . . . 0.0 109.87 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -85.12 -32.11 22.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.361 -0.837 . . . . 0.0 111.824 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -72.92 151.55 41.84 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.895 -1.128 . . . . 0.0 111.324 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.8 mttp -134.06 159.32 41.18 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' LYS . 4.0 m-20 -40.02 -88.11 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.143 -0.973 . . . . 0.0 110.907 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -167.02 18.75 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.36 144.06 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -1.064 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -77.64 152.4 33.86 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.62 162.11 36.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.553 -1.342 . . . . 0.0 111.398 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' NH2' " O3'" ' B' ' 112' ' ' ' DA' . 9.9 ptm180 -151.23 169.78 21.08 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.688 0.756 . . . . 0.0 110.622 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -65.94 140.22 58.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.646 -0.659 . . . . 0.0 110.367 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -66.92 126.82 30.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.524 -0.735 . . . . 0.0 110.365 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -65.15 -173.77 0.14 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.289 -0.882 . . . . 0.0 110.12 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -49.98 140.05 4.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.67 106.6 7.32 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.748 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.9 t -160.92 147.31 14.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.072 -1.017 . . . . 0.0 109.654 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -89.9 -79.05 0.35 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.84 -49.04 0.06 OUTLIER Glycine 0 N--CA 1.488 2.126 0 C-N-CA 119.559 -1.305 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.77 101.8 0.52 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.293 . . . . 0.0 109.661 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.65 -39.94 80.48 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -73.97 135.57 43.18 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 66' ' ' ARG . 6.8 mmt-85 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 120.923 -1.111 . . . . 0.0 109.214 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.416 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.281 1 O4'-C1'-N19 111.264 4.33 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 1 O4'-C1'-N19 111.138 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.871 3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.657 0 O4'-C1'-N19 110.683 3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.413 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.267 3.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.442 1.694 1 O4'-C1'-N19 111.782 4.977 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.575 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.2 3.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.411 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.411 " O5'" H2'' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.452 2.476 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.454 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.147 1 O4'-C1'-N19 112.054 5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 O4'-C1'-N19 110.49 3.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.549 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.562 1 O4'-C1'-N19 111.124 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.478 " O5'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.287 3.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.549 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.458 ' N3 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.55 4.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.926 5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.545 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.901 5.126 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.325 4.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.077 1 O4'-C1'-N19 111.289 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.491 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.33 1 O4'-C1'-N19 111.089 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.491 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 112.555 5.944 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.447 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.133 0 C3'-C2'-C1' 107.336 3.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-N19 111.276 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.403 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.501 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.501 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.613 1 O4'-C1'-N19 111.534 4.667 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.208 4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' A' ' 5' ' ' THR . 40.7 pttt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.512 0.672 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -61.35 -40.51 94.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.716 0.769 . . . . 0.0 109.651 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.25 8.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.855 -0.528 . . . . 0.0 111.135 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -11.19 56.51 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 9.0 m -62.1 120.21 10.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.262 . . . . 0.0 110.386 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.88 141.8 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.7 t -63.86 115.12 4.53 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.634 -1.292 . . . . 0.0 110.294 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -60.08 -40.02 88.13 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.218 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.02 -39.84 68.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.0 112.259 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' SG ' ' CZ ' ' A' ' 47' ' ' ARG . 8.2 p -130.37 12.99 5.54 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.532 -1.355 . . . . 0.0 112.184 -178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 7' ' ' CYS . 68.8 mt-30 56.43 1.96 0.08 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.844 -1.16 . . . . 0.0 113.721 176.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 t -64.97 158.34 25.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 119.973 -1.705 . . . . 0.0 108.356 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 9.31 4.26 Favored 'General case' 0 N--CA 1.512 2.635 0 O-C-N 120.995 -1.066 . . . . 0.0 109.746 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.44 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 4.9 p -109.55 48.33 0.89 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.045 0.926 . . . . 0.0 108.656 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -76.66 148.12 37.06 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.32 -0.863 . . . . 0.0 111.521 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -77.17 -36.82 54.78 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.548 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 4.1 tp -148.56 132.43 17.06 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.427 -0.796 . . . . 0.0 109.29 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -81.6 129.52 34.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.798 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.725 ' NH2' HD21 ' A' ' 29' ' ' ASN . 20.8 mmt180 -116.35 123.53 47.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.318 -0.864 . . . . 0.0 109.059 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -74.49 143.81 44.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.688 -1.882 . . . . 0.0 107.54 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -91.85 156.73 42.36 Favored Pre-proline 0 N--CA 1.503 2.187 0 O-C-N 120.911 -1.118 . . . . 0.0 109.699 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -49.17 -20.55 3.46 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.183 1.255 . . . . 0.0 112.724 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.75 -12.65 23.43 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.053 -1.029 . . . . 0.0 109.682 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.91 8.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -104.72 110.91 65.05 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.061 -1.258 . . . . 0.0 109.567 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -49.37 134.92 32.21 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 119.796 0.963 . . . . 0.0 112.786 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 11.1 m -140.18 159.95 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.371 0 O-C-N 121.299 -0.876 . . . . 0.0 110.517 178.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.36 156.38 23.04 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.204 -0.935 . . . . 0.0 108.624 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.725 HD21 ' NH2' ' A' ' 19' ' ' ARG . 22.7 t-20 -49.57 -42.17 43.64 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.084 -1.01 . . . . 0.0 111.582 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.37 -55.82 28.96 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.432 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 57.6 m -55.5 -48.38 74.72 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.712 -1.243 . . . . 0.0 110.403 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.32 -50.0 48.75 Favored Glycine 0 C--N 1.286 -2.241 0 C-N-CA 119.237 -1.459 . . . . 0.0 110.508 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.26 -54.55 14.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.905 -1.35 . . . . 0.0 110.964 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.58 ' CZ ' ' NE ' ' A' ' 42' ' ' ARG . 45.4 t80 -59.92 -46.14 90.33 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.526 -1.359 . . . . 0.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 39' ' ' GLN . 20.9 t80 -59.02 -42.13 89.43 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.197 -0.939 . . . . 0.0 108.999 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -58.54 -46.16 87.41 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.902 -1.123 . . . . 0.0 110.147 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 -57.78 11.3 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.504 -1.372 . . . . 0.0 109.909 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.5 m-70 -96.01 -72.59 0.63 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 1.6 pt20 111.15 56.25 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 0 CA-C-O 122.399 1.095 . . . . 0.0 109.954 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.82 156.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -86.85 141.39 28.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.126 -0.984 . . . . 0.0 109.789 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.58 ' NE ' ' CZ ' ' A' ' 34' ' ' TYR . 20.5 mmt180 -99.04 150.21 36.48 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.662 -1.274 . . . . 0.0 109.391 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -64.77 44.42 0.14 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 119.65 0.911 . . . . 0.0 112.296 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 42' ' ' ARG . 9.3 mp 45.74 25.73 0.3 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 110.89 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -12.45 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.739 -1.226 . . . . 0.0 109.95 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mmm -98.53 -14.73 19.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.185 -0.947 . . . . 0.0 111.443 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 8.4 mmt180 -81.69 139.61 34.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.355 -1.465 . . . . 0.0 109.908 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -125.6 -151.99 0.5 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -89.16 -84.25 0.22 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.417 -1.427 . . . . 0.0 108.112 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.34 -166.06 21.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.2 mt -91.9 144.16 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -1.211 . . . . 0.0 109.987 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -72.13 149.24 44.92 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -140.11 157.57 45.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.916 -1.115 . . . . 0.0 110.662 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 51.1 mtt-85 -147.74 164.54 33.26 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.626 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -57.01 136.59 56.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 108.942 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.73 130.93 48.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.529 -0.732 . . . . 0.0 109.911 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.53 -170.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.304 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.58 141.43 17.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.444 -0.785 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 m -90.2 111.63 22.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.158 -0.963 . . . . 0.0 108.715 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -107.35 116.74 32.48 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.693 0.758 . . . . 0.0 109.863 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -150.37 119.83 6.92 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.15 41.77 0.11 Allowed Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.108 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.95 131.07 36.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -1.081 . . . . 0.0 109.463 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -112.54 29.95 7.51 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.5 -0.75 . . . . 0.0 109.873 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -52.32 134.57 33.86 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.637 -179.581 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C1'-N19 110.182 2.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.906 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.272 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.669 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.445 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 0 P-O3'-C3' 123.322 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.534 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.444 1.832 1 O4'-C1'-N19 112.351 5.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.488 1 O4'-C1'-N19 111.327 4.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.225 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 C4'-C3'-C2' 106.124 2.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.567 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.117 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 1 O4'-C1'-N19 111.516 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.444 " O5'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.22 3.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.567 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 1 O4'-C1'-N19 111.238 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.457 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.439 4.549 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 112.223 5.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.604 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.259 1 O4'-C1'-N19 111.463 4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.507 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.813 0 O4'-C1'-N19 110.524 3.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.507 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 112.002 5.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.481 " C5'" ' HE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.362 0 C3'-C2'-C1' 107.335 3.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.445 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.295 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.058 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.75 -4.04 34.36 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.203 -0.935 . . . . 0.0 109.215 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.78 114.81 12.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.148 -0.97 . . . . 0.0 110.023 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.04 -12.97 51.93 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -68.22 114.87 7.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.046 -1.267 . . . . 0.0 110.794 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.11 140.66 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLN . 49.3 t -63.44 119.07 9.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.21 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -62.08 -40.0 94.34 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.451 -0.78 . . . . 0.0 110.458 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -74.43 -40.07 62.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.879 -1.138 . . . . 0.0 111.99 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.57 12.7 6.42 Favored 'General case' 0 N--CA 1.514 2.772 0 O-C-N 120.46 -1.4 . . . . 0.0 112.452 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.6 mt-30 56.36 1.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -63.07 150.57 42.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.72 -1.863 . . . . 0.0 107.526 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -107.87 -10.01 15.62 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -99.32 122.41 42.43 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.9 p -146.23 149.42 33.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.225 -0.922 . . . . 0.0 109.113 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -72.81 -39.85 66.3 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 9.4 tp -145.13 132.2 20.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -78.83 129.11 34.23 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.626 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' NH1' HD21 ' A' ' 29' ' ' ASN . 2.1 mmt-85 -117.98 129.87 55.85 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.821 -0.549 . . . . 0.0 109.905 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 147.66 30.03 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 158.77 40.55 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 120.871 -1.143 . . . . 0.0 109.006 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -53.13 -18.33 9.83 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.036 1.157 . . . . 0.0 111.577 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 94.1 mmm -92.7 -13.66 29.08 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.519 -0.738 . . . . 0.0 109.948 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.28 21.82 14.3 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -102.62 131.51 22.29 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.094 -1.239 . . . . 0.0 110.039 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -64.64 129.17 22.86 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 CA-C-N 120.163 1.094 . . . . 0.0 112.041 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -133.1 159.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.436 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 p -82.23 152.64 26.3 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.047 -1.033 . . . . 0.0 108.339 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.551 HD21 ' NH1' ' A' ' 19' ' ' ARG . 23.6 t-20 -49.84 -30.3 9.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.246 -0.909 . . . . 0.0 111.393 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' HB2' HH12 ' A' ' 47' ' ' ARG . . . -71.95 -51.63 21.11 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.732 -1.23 . . . . 0.0 110.049 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.6 m -59.39 -41.8 90.24 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.862 -1.149 . . . . 0.0 109.674 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.49 72.44 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 118.72 -1.705 . . . . 0.0 109.702 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.04 -52.99 12.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -1.132 . . . . 0.0 110.584 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.636 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 48.6 t80 -60.02 -43.82 95.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.5 t80 -63.6 -48.52 77.01 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.906 0.86 . . . . 0.0 109.48 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -60.05 -40.81 90.7 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 120.25 -1.531 . . . . 0.0 109.88 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -72.78 -45.01 60.79 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.13 -0.981 . . . . 0.0 111.33 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.604 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 69.0 m-70 -108.63 -9.56 15.28 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.928 -1.108 . . . . 0.0 111.78 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' TYR . 25.7 tt0 40.91 51.66 3.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.655 -1.278 . . . . 0.0 111.922 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -150.05 156.28 7.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 17.4 p-10 -85.6 124.34 32.04 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.613 -1.304 . . . . 0.0 110.649 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.636 ' NH1' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -90.0 126.29 57.78 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.285 -0.885 . . . . 0.0 109.346 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 45' ' ' THR . 16.1 Cg_exo -48.42 152.05 4.22 Favored 'Trans proline' 0 N--CA 1.487 1.12 0 CA-C-N 120.086 1.067 . . . . 0.0 111.252 178.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.65 29.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.376 -0.828 . . . . 0.0 111.084 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.87 -17.93 64.65 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.503 -1.373 . . . . 0.0 110.34 -179.357 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.538 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 89.2 mtp -105.83 -5.38 19.84 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.212 -0.93 . . . . 0.0 111.824 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.621 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.3 mmp_? -82.29 140.49 33.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.6 -1.313 . . . . 0.0 111.356 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -134.72 159.01 42.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -45.35 -83.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.12 -0.988 . . . . 0.0 110.122 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -173.17 16.04 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.19 150.83 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.172 -1.193 . . . . 0.0 109.521 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -79.25 149.73 31.77 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.43 162.61 36.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.65 -1.281 . . . . 0.0 111.25 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -151.73 162.04 41.67 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.534 0.683 . . . . 0.0 110.35 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 49.9 p-10 -50.63 144.97 7.29 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.532 ' CB ' HH11 ' A' ' 56' ' ' ARG . 0.0 OUTLIER -61.54 122.6 15.65 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.237 -0.914 . . . . 0.0 109.965 -178.494 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -61.54 -169.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 109.947 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.03 150.82 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.391 -0.818 . . . . 0.0 109.628 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.9 p -80.0 143.13 34.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.105 -0.997 . . . . 0.0 109.408 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -143.97 127.7 17.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.374 -0.829 . . . . 0.0 108.978 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -104.82 130.34 52.96 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.477 -0.764 . . . . 0.0 110.286 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.5 5.07 60.29 Favored Glycine 0 N--CA 1.499 2.877 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -61.56 -40.0 93.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.304 . . . . 0.0 110.003 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -148.18 148.78 30.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.989 -1.069 . . . . 0.0 109.501 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 65' ' ' ARG . 32.6 mtt-85 -97.58 14.28 27.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.353 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.366 4.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.202 4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.452 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.604 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.403 1 O4'-C1'-N19 112.379 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.571 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.603 3.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 0 O4'-C1'-N19 110.445 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.521 1 O4'-C1'-N19 111.146 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.188 0 O4'-C1'-N19 110.741 3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.971 1 O4'-C1'-N19 112.106 5.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 O4'-C1'-N19 110.335 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.328 4.41 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 1 O4'-C1'-N19 111.134 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.701 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.418 0 O4'-C1'-N19 110.203 3.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.586 4.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.565 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.419 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.565 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 112.58 5.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.595 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.236 1 O4'-C1'-N19 111.498 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.441 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.753 1 O4'-C1'-N19 111.518 4.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.615 4.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.418 " H5'" ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.577 0 C3'-C2'-C1' 107.494 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . 0.476 ' OP1' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.45 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.232 0 O4'-C1'-N19 110.484 3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.893 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -57.18 -25.8 59.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.102 -0.999 . . . . 0.0 110.123 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.59 118.32 13.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.597 -1.314 . . . . 0.0 109.899 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . 133.4 -22.59 3.93 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.59 -2.204 . . . . 0.0 107.59 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' CH2' ' A' ' 18' ' ' TRP . 13.2 m -47.96 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 15.5 m -63.28 140.26 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 120.105 -1.622 . . . . 0.0 110.976 -177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -60.17 122.89 15.56 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.679 0.752 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' PRO . 75.6 m -60.1 -40.06 88.32 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.648 -0.657 . . . . 0.0 110.365 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -80.28 -38.74 30.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.763 -1.211 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -130.36 16.89 5.47 Favored 'General case' 0 N--CA 1.511 2.589 0 CA-C-N 120.446 1.475 . . . . 0.0 112.636 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 57.22 -2.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.885 -1.134 . . . . 0.0 113.918 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t -60.06 140.07 57.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.704 -1.873 . . . . 0.0 108.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -103.44 -9.88 19.02 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.3 p -99.33 119.98 38.82 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -147.1 151.23 36.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.262 -0.899 . . . . 0.0 109.518 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 p -75.45 -37.57 60.22 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.5 tp -147.83 132.58 17.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 5' ' ' THR . 42.1 m95 -81.58 131.68 35.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.035 -1.04 . . . . 0.0 109.976 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.69 HH21 HD22 ' A' ' 29' ' ' ASN . 19.9 mmt180 -117.01 123.23 46.39 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -88.8 86.75 7.03 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.006 -1.684 . . . . 0.0 107.887 178.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.76 157.85 0.03 OUTLIER Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 121.615 -0.678 . . . . 0.0 112.213 -177.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -49.14 -9.81 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.747 1.631 . . . . 0.0 113.614 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mtm -99.35 -13.64 19.52 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.076 -1.015 . . . . 0.0 109.919 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 27.22 15.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -105.41 143.64 27.2 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.097 -1.237 . . . . 0.0 108.556 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 8' ' ' SER . 37.1 Cg_endo -74.33 127.22 10.98 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 120.758 0.972 . . . . 0.0 113.305 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.35 156.66 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 O-C-N 121.282 -0.886 . . . . 0.0 108.689 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -81.47 151.86 27.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.617 -1.302 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.69 HD22 HH21 ' A' ' 19' ' ' ARG . 41.6 t-20 -46.81 -32.93 4.03 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.525 -0.734 . . . . 0.0 111.952 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.38 -47.98 37.74 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 120.516 -1.365 . . . . 0.0 110.798 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 m -58.69 -41.94 87.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.84 -1.162 . . . . 0.0 110.605 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.59 -46.18 94.4 Favored Glycine 0 N--CA 1.486 1.995 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.332 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -49.45 58.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.082 -1.246 . . . . 0.0 109.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 31.4 t80 -60.03 -45.48 92.66 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.888 -1.132 . . . . 0.0 109.878 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.2 -46.86 85.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.4 -0.812 . . . . 0.0 110.642 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.08 -42.22 94.16 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.16 -1.588 . . . . 0.0 110.766 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.57 -40.06 73.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.855 -1.153 . . . . 0.0 111.579 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 87.8 m-70 -113.62 -9.86 13.18 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.924 -1.11 . . . . 0.0 112.091 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 tt0 41.18 54.8 3.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.578 -1.326 . . . . 0.0 111.685 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.9 154.17 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.091 . . . . 0.0 109.138 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -100.5 134.64 20.52 Favored Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.274 -0.891 . . . . 0.0 109.824 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.591 ' C ' ' H ' ' A' ' 45' ' ' THR . 12.2 Cg_exo -48.47 152.04 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 CA-C-N 119.94 1.014 . . . . 0.0 112.05 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.62 18.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.363 -0.835 . . . . 0.0 110.793 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 43' ' ' PRO . 32.6 p -67.13 -15.93 64.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.637 -1.289 . . . . 0.0 109.648 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.58 -5.28 39.56 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.116 -0.99 . . . . 0.0 109.552 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -80.35 126.39 31.1 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.813 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 19.2 ttmm -125.17 138.61 54.14 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 65.8 t0 -40.21 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.205 -0.934 . . . . 0.0 110.679 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.48 -175.02 21.69 Favored Glycine 0 N--CA 1.494 2.554 0 O-C-N 120.953 -1.092 . . . . 0.0 110.572 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.57 139.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -1.087 . . . . 0.0 108.986 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.59 149.1 44.27 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.81 46.38 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.746 -1.221 . . . . 0.0 110.54 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' HH11 ' A' ' 54' ' ' ARG . 24.6 mmm-85 -145.81 167.44 23.19 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.521 0.677 . . . . 0.0 109.726 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.98 136.06 57.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 0.0 108.804 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.418 ' CZ ' " H5'" ' C' ' 126' ' ' ' DC' . 31.7 tpt180 -59.09 130.0 44.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 111.268 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -64.58 -169.68 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.77 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -60.97 142.06 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.307 -0.871 . . . . 0.0 109.5 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -85.43 111.95 20.42 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.148 -0.97 . . . . 0.0 108.485 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -117.36 120.35 37.92 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.451 -0.781 . . . . 0.0 109.804 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' NZ ' ' OP1' ' C' ' 127' ' ' ' DT' . 68.4 mmtt -102.19 118.65 37.33 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.43 162.65 32.97 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -155.45 155.12 32.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.422 -1.046 . . . . 0.0 108.195 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.07 -42.78 95.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.065 -1.022 . . . . 0.0 108.372 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -106.27 128.89 54.3 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.325 -0.859 . . . . 0.0 108.944 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.16 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 0 O4'-C1'-N19 110.885 3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.718 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.686 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.477 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C3'-C2'-C1' 106.927 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.096 1 O4'-C1'-N19 112.134 5.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.548 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.389 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 1 O4'-C1'-N19 111.738 4.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.404 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.513 1 O4'-C1'-N19 112.544 5.93 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.834 0 C3'-C2'-C1' 106.66 2.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.579 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.537 1 O4'-C1'-N19 111.258 4.323 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.719 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.579 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.047 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.975 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.542 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.865 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.542 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 112.128 5.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.61 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.548 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.469 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.441 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.857 1 O4'-C1'-N19 112.621 6.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.454 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.156 0 C3'-C2'-C1' 107.287 3.276 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.477 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.819 0 O4'-C1'-N19 110.935 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 111.529 4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.161 1 O4'-C1'-N19 111.053 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.423 ' H1 ' ' H ' ' A' ' 2' ' ' ARG . 41.4 mtpt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.491 ' C ' ' HG1' ' A' ' 5' ' ' THR . 62.1 ttt180 -61.52 -40.07 93.3 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.52 122.38 6.21 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.19 -9.98 65.03 Favored Glycine 0 N--CA 1.496 2.643 0 O-C-N 121.202 -0.936 . . . . 0.0 111.378 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.491 ' HG1' ' C ' ' A' ' 2' ' ' ARG . 11.6 m -66.58 115.38 6.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.774 -1.427 . . . . 0.0 110.505 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.39 140.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -61.88 117.06 5.4 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.856 -1.152 . . . . 0.0 110.888 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.23 -40.0 88.69 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.812 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -74.52 -39.88 62.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.916 -1.115 . . . . 0.0 112.016 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.606 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.3 p -130.29 15.59 5.58 Favored 'General case' 0 N--CA 1.509 2.524 0 O-C-N 120.677 -1.264 . . . . 0.0 112.935 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' CYS . 66.2 mt-30 57.21 -1.79 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.774 -1.204 . . . . 0.0 113.157 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -62.4 151.99 35.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 119.918 -1.739 . . . . 0.0 108.982 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -127.92 6.21 6.03 Favored 'General case' 0 N--CA 1.511 2.617 0 O-C-N 121.052 -1.03 . . . . 0.0 109.215 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.535 ' O ' ' CG1' ' A' ' 51' ' ' ILE . 10.1 p -105.37 49.84 0.8 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.27 -0.893 . . . . 0.0 108.749 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.36 148.18 32.13 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.339 -0.851 . . . . 0.0 111.993 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.5 p -76.62 -39.88 51.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.572 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 2.9 tp -145.26 132.37 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.18 130.31 34.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.0 110.347 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.725 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.1 mmt180 -117.5 122.49 43.87 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 0.0 108.992 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -70.04 141.25 52.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 119.934 -1.729 . . . . 0.0 106.508 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -86.14 151.58 54.45 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 120.757 -1.214 . . . . 0.0 109.321 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -47.0 -24.67 3.38 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 121.05 1.166 . . . . 0.0 113.055 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 ptm -92.16 -14.64 28.78 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.168 -0.957 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 25.07 8.39 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.12 113.58 62.21 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.263 . . . . 0.0 109.146 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -48.96 135.58 29.25 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.146 1.088 . . . . 0.0 112.868 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m -138.88 160.13 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.3 153.2 25.96 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.725 ' ND2' HH21 ' A' ' 19' ' ' ARG . 20.7 t-20 -38.58 -43.66 0.89 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.768 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -47.59 48.26 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.783 -1.198 . . . . 0.0 112.184 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.59 -46.13 91.16 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.442 -1.411 . . . . 0.0 109.582 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.78 -54.73 31.4 Favored Glycine 0 N--CA 1.485 1.966 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.317 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.75 -47.09 82.41 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.16 -1.2 . . . . 0.0 110.069 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.99 -45.17 93.61 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.596 -1.315 . . . . 0.0 110.323 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLN . 13.6 t80 -66.08 -46.91 76.02 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.729 0.776 . . . . 0.0 110.749 -178.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.04 -40.94 91.1 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 120.048 -1.658 . . . . 0.0 109.898 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -71.04 -40.67 71.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.999 -1.063 . . . . 0.0 111.375 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.61 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.8 m-70 -117.82 0.98 12.08 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.936 -1.102 . . . . 0.0 112.065 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' TYR . 23.5 pt20 35.11 41.44 0.07 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.943 -1.098 . . . . 0.0 113.131 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.38 155.46 23.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -85.63 159.31 19.87 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.224 -0.922 . . . . 0.0 108.608 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' NH2' ' CZ ' ' A' ' 47' ' ' ARG . 1.1 ptt-85 -140.31 151.11 63.49 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 120.714 -1.241 . . . . 0.0 109.071 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -45.35 151.03 1.04 Allowed 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 120.614 0.876 . . . . 0.0 112.116 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 46' ' ' MET . 9.4 mp -79.06 -19.94 50.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.296 -0.878 . . . . 0.0 110.54 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 t -50.97 -7.33 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.09 -1.006 . . . . 0.0 109.693 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.557 ' H ' ' C ' ' A' ' 44' ' ' LEU . 24.1 ttt -76.51 -39.47 52.96 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 0.0 110.078 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.606 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -75.7 156.23 34.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.005 -178.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -104.24 -172.47 2.11 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.92 3.82 53.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 108.77 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.39 179.79 29.47 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 14' ' ' THR . 15.9 mt -85.95 139.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.701 -1.47 . . . . 0.0 108.464 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.93 144.2 31.11 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.087 0.946 . . . . 0.0 111.292 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.1 155.75 49.5 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 55' ' ' ASN . 9.2 tpt180 -151.32 163.42 38.94 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' H ' ' HG3' ' A' ' 54' ' ' ARG . 52.1 t30 -56.29 136.54 53.2 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 82.6 mtt180 -66.25 134.55 52.91 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.447 -0.783 . . . . 0.0 110.4 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -65.19 -169.67 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.109 -0.994 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.96 148.1 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.275 -0.891 . . . . 0.0 109.522 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.0 p -75.61 154.21 36.82 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.085 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -152.6 155.62 37.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.416 -0.803 . . . . 0.0 109.141 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 63' ' ' LYS . 59.5 pttt -142.91 159.96 41.24 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.359 -0.838 . . . . 0.0 108.832 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.79 84.65 0.01 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.325 -0.941 . . . . 0.0 110.879 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 61' ' ' LYS . 82.8 tttt -119.99 112.06 18.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.492 -1.005 . . . . 0.0 108.949 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 66' ' ' ARG . 60.2 mmtt -146.84 171.03 15.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.4 mtm-85 -65.91 35.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 109.7 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 64' ' ' LYS . 42.0 ttp180 . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.785 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.689 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.402 3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.116 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.717 3.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.467 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.485 3.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.593 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.45 2.327 1 O4'-C1'-N19 112.793 6.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.463 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.666 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 111.873 5.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.572 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.122 2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.452 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.341 4.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.625 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.542 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.543 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.996 5.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.543 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 112.116 5.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.632 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.078 0 O4'-C1'-N19 110.732 3.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.463 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C1' 1.45 2.281 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.499 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.266 0 O5'-C5'-C4' 114.819 3.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.499 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.125 1 O4'-C1'-N19 112.045 5.307 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.427 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.682 0 C3'-C2'-C1' 107.387 3.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.179 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.811 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.225 4.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 5' ' ' THR . 78.2 tttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -34.4 73.09 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.1 118.8 3.45 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.342 -0.849 . . . . 0.0 110.924 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -10.06 62.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 121.179 -0.951 . . . . 0.0 111.273 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.0 m -67.74 111.82 4.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.755 -1.438 . . . . 0.0 110.388 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.82 140.75 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' GLN . 41.8 t -61.15 118.12 6.42 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.68 -1.262 . . . . 0.0 110.563 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -60.02 -39.96 87.63 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.097 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -77.24 -38.73 50.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.965 -1.084 . . . . 0.0 112.155 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 12' ' ' THR . 8.9 p -129.61 15.82 5.94 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.024 1.284 . . . . 0.0 112.946 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.6 mt-30 55.33 -1.88 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.621 -1.299 . . . . 0.0 113.543 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.408 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.0 t -62.49 150.35 40.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 119.994 -1.691 . . . . 0.0 108.364 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -123.93 4.01 8.72 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.073 -1.017 . . . . 0.0 109.305 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 11.1 p -102.76 51.45 0.8 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.375 -0.828 . . . . 0.0 109.895 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -80.28 145.94 31.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 0.0 111.632 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.454 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 7.2 p -74.35 -39.92 62.47 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.593 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 5.1 tp -144.28 131.92 21.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -79.24 129.96 34.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.024 -1.047 . . . . 0.0 110.534 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' NH2' ' C8 ' ' B' ' 107' ' ' ' DG' . 6.4 mmt-85 -120.11 132.4 55.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.788 -0.57 . . . . 0.0 110.717 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -83.44 145.99 28.66 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.502 -1.374 . . . . 0.0 107.574 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 162.51 28.62 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.036 -1.04 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -50.9 -24.57 14.0 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.179 1.253 . . . . 0.0 113.304 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.14 -6.15 45.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.003 -1.061 . . . . 0.0 109.436 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.38 28.07 18.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -100.13 115.25 65.68 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.147 -1.208 . . . . 0.0 109.724 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -51.25 122.61 10.38 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.191 1.104 . . . . 0.0 112.286 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.99 160.02 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 O-C-N 121.609 -0.682 . . . . 0.0 110.087 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 20.9 p -81.38 154.08 26.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 108.773 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -49.71 -29.93 8.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.157 -0.964 . . . . 0.0 111.749 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.91 -50.95 15.1 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.493 -1.38 . . . . 0.0 110.803 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m -58.19 -44.65 88.18 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.535 -1.353 . . . . 0.0 109.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.9 -49.3 67.38 Favored Glycine 0 C--N 1.291 -1.941 0 C-N-CA 119.391 -1.385 . . . . 0.0 110.202 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.71 -48.96 62.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.105 -1.232 . . . . 0.0 109.607 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' OH ' ' NE ' ' A' ' 42' ' ' ARG . 64.4 t80 -60.03 -48.21 82.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.179 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.659 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.4 t80 -60.54 -46.07 91.52 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.739 0.781 . . . . 0.0 110.489 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.0 -40.77 90.36 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 120.1 -1.625 . . . . 0.0 110.093 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.55 -48.27 49.66 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.128 -0.982 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.632 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 90.2 m-70 -106.68 -10.97 15.95 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.068 -1.02 . . . . 0.0 112.27 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.659 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.0 tt0 44.48 51.13 7.98 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.373 -1.454 . . . . 0.0 111.931 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.96 153.88 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 120.843 -1.16 . . . . 0.0 108.472 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 25.9 p30 -84.53 135.48 34.2 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -123.55 128.2 25.28 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.011 -1.055 . . . . 0.0 110.016 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.31 152.47 0.17 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.299 1.333 . . . . 0.0 114.086 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.4 mp -63.98 -9.99 18.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.811 -0.556 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' LEU . 44.4 p -45.12 -21.61 0.08 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.871 -1.143 . . . . 0.0 109.548 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.4 ttt -77.47 -42.71 34.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.481 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.625 ' NH2' ' SG ' ' A' ' 28' ' ' CYS . 26.1 mtt-85 -80.82 162.94 23.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 110.368 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -116.42 -160.14 0.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.494 0.664 . . . . 0.0 109.887 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.3 3.98 54.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.432 -0.792 . . . . 0.0 109.654 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.65 179.72 29.73 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 108.784 -1.727 . . . . 0.0 108.784 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.6 mt -87.15 132.75 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.866 -1.373 . . . . 0.0 108.7 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 142.32 48.24 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.537 -0.727 . . . . 0.0 109.543 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 158.45 44.32 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.565 -1.334 . . . . 0.0 109.708 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' CG ' ' NH1' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -146.34 163.66 34.84 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.777 0.799 . . . . 0.0 110.383 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -55.23 139.29 42.77 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 3.9 tpp180 -58.37 123.17 15.21 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.542 -0.724 . . . . 0.0 109.696 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.8 -173.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.514 -0.741 . . . . 0.0 110.326 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.32 136.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.607 -0.683 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -86.7 111.26 20.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.075 -1.016 . . . . 0.0 108.997 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.0 t -112.37 57.1 0.65 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.6 -0.688 . . . . 0.0 109.331 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.49 -39.95 95.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.454 -0.779 . . . . 0.0 109.761 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.57 157.71 29.09 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -174.22 14.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.999 -1.063 . . . . 0.0 109.873 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.64 143.69 42.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.34 -179.391 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.198 4.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.731 3.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C1'-N19 110.489 3.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.497 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.199 0 O4'-C1'-N19 110.222 3.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.559 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.116 1 O4'-C1'-N19 112.343 5.679 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.494 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.772 1 O4'-C1'-N19 111.485 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 O4'-C1'-N19 110.922 3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.509 1 O4'-C1'-N19 111.436 4.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 1 O4'-C1'-N19 111.794 4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.791 0 C3'-C2'-C1' 107.039 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.571 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.888 0 O4'-C1'-N19 110.913 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.785 3.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.747 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 C3'-C2'-C1' 106.97 3.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.571 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.821 3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.47 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.47 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 112.094 5.368 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.538 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.144 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.401 1 O4'-C1'-N19 111.424 4.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.494 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.449 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.247 1 O4'-C1'-N19 112.875 6.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.404 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.141 0 C3'-C2'-C1' 107.366 3.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.798 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 C3'-C2'-C1' 106.982 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.698 4.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.559 4.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.475 ' O ' ' OG1' ' A' ' 5' ' ' THR . 59.8 mttp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.672 ' CD ' ' HE1' ' A' ' 18' ' ' TRP . 10.6 tpt180 -68.6 -39.68 80.78 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.475 0.655 . . . . 0.0 109.32 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.43 118.33 2.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.419 -0.801 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.69 -11.62 55.7 Favored Glycine 0 N--CA 1.499 2.871 0 O-C-N 121.257 -0.902 . . . . 0.0 111.874 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.6 m -64.12 116.41 5.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.561 -1.553 . . . . 0.0 110.025 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -121.95 142.26 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB3' ' H ' ' A' ' 12' ' ' THR . 20.0 t -60.51 116.78 4.58 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.703 -1.248 . . . . 0.0 110.751 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.669 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -79.17 -38.12 36.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 112.625 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.21 5.53 5.29 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 121.057 1.753 . . . . 0.0 113.68 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 57.05 46.21 19.65 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.288 -1.507 . . . . 0.0 112.503 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 13.3 t -101.85 148.31 25.47 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -120.39 9.8 11.06 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 121.105 1.775 . . . . 0.0 108.715 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 9.5 p -115.36 49.78 1.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.543 -0.723 . . . . 0.0 109.765 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.3 p -77.49 149.75 34.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.03 . . . . 0.0 111.591 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -78.82 -41.12 31.03 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.6 tp -142.76 131.01 22.07 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.672 ' HE1' ' CD ' ' A' ' 2' ' ' ARG . 83.1 m95 -81.49 130.37 35.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.888 -1.133 . . . . 0.0 110.023 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.693 HH21 ' ND2' ' A' ' 29' ' ' ASN . 17.0 mmt180 -114.92 119.23 35.82 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.359 -0.838 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -70.02 142.86 52.7 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 159.83 37.87 Favored Pre-proline 0 N--CA 1.504 2.238 0 O-C-N 120.931 -1.106 . . . . 0.0 110.109 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.03 -21.55 12.66 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.002 1.135 . . . . 0.0 112.372 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.8 mtt -96.04 -12.9 24.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.0 109.915 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.66 26.32 13.5 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 6.0 m-20 -105.4 109.92 63.75 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.046 -1.267 . . . . 0.0 108.741 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.09 129.58 15.41 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 120.9 1.066 . . . . 0.0 113.523 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.81 162.01 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.526 0 O-C-N 121.532 -0.73 . . . . 0.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.4 p -83.67 155.99 22.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.989 -1.069 . . . . 0.0 111.465 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.693 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.6 t-20 -46.58 -33.61 4.28 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.855 -0.528 . . . . 0.0 111.234 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -54.38 7.77 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.907 -1.12 . . . . 0.0 110.738 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -55.83 -45.32 78.4 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.717 -1.239 . . . . 0.0 109.98 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -49.29 55.46 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 118.794 -1.669 . . . . 0.0 110.048 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.82 -49.58 29.48 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 110.223 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 60.8 t80 -59.99 -48.01 83.49 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.615 -1.303 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.1 t80 -61.02 -47.58 85.77 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.548 0.69 . . . . 0.0 109.817 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.01 -42.9 95.3 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.388 -1.445 . . . . 0.0 110.407 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.03 -40.0 75.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.034 -1.041 . . . . 0.0 111.592 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.538 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.1 m-70 -117.43 -0.36 11.97 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 121.058 -1.026 . . . . 0.0 112.494 -177.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.2 pt20 36.62 46.39 0.45 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.637 -1.289 . . . . 0.0 113.236 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.0 153.42 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.106 -0.996 . . . . 0.0 108.418 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.2 p30 -86.79 132.29 33.89 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.992 -1.068 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.596 ' NH1' ' CD1' ' A' ' 34' ' ' TYR . 8.7 ptm180 -104.94 150.67 38.97 Favored Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 121.142 -0.974 . . . . 0.0 110.209 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -60.49 151.45 75.01 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 121.371 1.381 . . . . 0.0 112.857 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 46' ' ' MET . 8.7 mp -72.95 -6.28 44.23 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.52 -0.738 . . . . 0.0 111.283 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 p -54.42 -9.91 0.35 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 109.441 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.478 ' H ' ' C ' ' A' ' 44' ' ' LEU . 17.8 ttt -91.79 -21.51 20.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 0.0 110.47 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -76.67 148.15 37.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.036 -1.04 . . . . 0.0 110.157 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -142.05 163.5 32.71 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.194 -0.941 . . . . 0.0 109.791 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.51 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.639 -0.663 . . . . 0.0 112.232 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.33 -171.7 13.06 Favored Glycine 0 N--CA 1.498 2.787 0 O-C-N 121.29 -0.882 . . . . 0.0 111.152 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.8 mt -91.26 147.26 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.645 -0.914 . . . . 0.0 109.758 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.58 144.0 46.2 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.735 . . . . 0.0 110.114 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.82 153.67 48.39 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.778 -1.201 . . . . 0.0 109.962 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.46 162.0 39.92 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.582 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.78 139.32 39.95 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' LYS . 91.9 mtt180 -67.4 134.76 52.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 109.866 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' ARG . 55.2 pttt -55.33 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.155 -0.965 . . . . 0.0 109.849 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.12 139.13 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.252 -0.905 . . . . 0.0 108.56 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.3 p -83.96 129.72 34.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 0.0 108.82 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -136.3 124.61 23.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.411 -0.806 . . . . 0.0 109.628 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -110.86 132.84 53.87 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.44 99.26 0.02 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -68.4 -37.0 79.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -1.191 . . . . 0.0 108.537 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -146.47 148.54 32.35 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.421 HH11 ' HG3' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -160.71 141.54 11.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.048 -1.032 . . . . 0.0 109.188 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 117.812 -1.089 . . . . 0.0 109.247 179.722 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.472 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.456 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.248 1 O4'-C1'-N19 111.158 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.516 3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.493 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.564 3.455 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 1.956 1 O4'-C1'-N19 111.864 5.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.508 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.94 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.027 4.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 2.703 1 O4'-C1'-N19 111.449 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 O4'-C1'-N19 110.411 3.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.206 1 O4'-C1'-N19 111.632 4.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 C3'-C2'-C1' 107.094 3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.666 4.833 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.539 4.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.289 3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.381 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.45 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.005 4.006 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.45 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.94 5.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.452 ' P ' HH12 ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.489 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.48 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.37 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.48 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C1'-N19 112.185 5.481 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.442 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.528 0 C3'-C2'-C1' 107.384 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.206 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.493 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.796 3.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.858 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.446 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 5' ' ' THR . 68.3 mmtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.411 ' HD3' ' HE1' ' A' ' 18' ' ' TRP . 10.0 mtt180 -92.47 -9.24 42.18 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.119 -0.988 . . . . 0.0 109.271 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.61 118.58 15.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.999 -179.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 -12.8 39.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 6.4 m -61.57 119.97 9.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.115 -1.226 . . . . 0.0 110.739 -178.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -122.51 141.69 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.9 t -66.86 118.27 10.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.47 -1.394 . . . . 0.0 110.803 -179.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.673 -0.642 . . . . 0.0 110.322 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.409 HD21 ' HB3' ' A' ' 31' ' ' CYS . 98.9 m-20 -75.97 -39.25 56.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.967 -1.083 . . . . 0.0 112.897 -177.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 p -129.27 15.18 6.16 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.597 1.544 . . . . 0.0 111.922 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 26.1 mp0 56.85 2.0 0.09 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.947 -1.095 . . . . 0.0 113.392 177.109 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -64.41 149.96 47.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.943 -1.723 . . . . 0.0 108.845 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -111.02 -3.82 15.37 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.236 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 p -107.23 122.26 46.18 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 p -146.61 149.5 33.65 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.095 -1.003 . . . . 0.0 109.829 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.572 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.1 tp -146.51 131.45 18.15 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.044 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.411 ' HE1' ' HD3' ' A' ' 2' ' ' ARG . 86.6 m95 -81.96 129.95 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.744 -1.223 . . . . 0.0 109.239 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.717 HH21 ' ND2' ' A' ' 29' ' ' ASN . 15.2 mmt180 -112.89 119.06 36.65 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.241 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 21' ' ' SER . 19.7 mmt180 -87.42 87.01 7.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.207 -1.558 . . . . 0.0 109.427 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -34.04 157.68 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.741 -0.599 . . . . 0.0 111.048 -178.777 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -57.08 -5.92 1.62 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.098 1.199 . . . . 0.0 112.773 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 tpp -95.7 -16.21 22.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.184 -0.948 . . . . 0.0 108.651 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.21 24.57 18.94 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.01 133.52 20.2 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 120.922 -1.34 . . . . 0.0 108.731 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.79 133.52 23.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 119.811 0.968 . . . . 0.0 113.411 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.77 160.3 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 O-C-N 121.47 -0.769 . . . . 0.0 109.126 177.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.11 154.61 24.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.597 -1.314 . . . . 0.0 109.298 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.717 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.3 t-20 -49.74 -32.68 14.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.254 -0.904 . . . . 0.0 110.721 -177.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -54.24 14.64 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.53 -1.356 . . . . 0.0 110.094 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' HD21 ' A' ' 9' ' ' ASN . 59.4 m -57.81 -45.54 85.97 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.884 -1.135 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.0 47.13 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.333 -1.413 . . . . 0.0 110.177 -178.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.7 mt -68.13 -49.43 61.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -1.181 . . . . 0.0 110.38 -179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.455 ' CB ' ' NH1' ' A' ' 42' ' ' ARG . 22.0 t80 -60.18 -42.62 95.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.471 -1.393 . . . . 0.0 109.598 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.624 ' O ' ' N ' ' A' ' 39' ' ' GLN . 31.4 t80 -63.99 -49.96 70.42 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.638 0.732 . . . . 0.0 110.211 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.92 -39.92 87.09 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.257 -1.527 . . . . 0.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.04 -49.43 77.7 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.42 -1.425 . . . . 0.0 108.217 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 72.0 m-70 -101.58 -71.36 0.72 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.4 tt0 110.04 56.85 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.029 0 CA-C-O 122.015 0.912 . . . . 0.0 108.962 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.0 159.69 4.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 52.3 p-10 -75.66 151.12 37.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.909 -1.119 . . . . 0.0 109.43 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 34' ' ' TYR . 10.8 ptm180 -123.95 151.27 64.7 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.007 -1.058 . . . . 0.0 109.663 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.1 Cg_endo -61.85 150.7 84.96 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 120.822 1.014 . . . . 0.0 112.369 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.39 18.96 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.193 -0.942 . . . . 0.0 110.501 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 43' ' ' PRO . 21.2 p -66.09 -16.04 63.6 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.065 -1.022 . . . . 0.0 108.658 179.116 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 85.4 mmm -99.34 -5.1 30.26 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.533 -0.729 . . . . 0.0 109.53 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -80.57 125.47 30.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 110.828 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' ASP . 86.1 tttt -127.54 146.02 50.66 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' LYS . 21.7 t70 -41.79 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 110.62 -179.002 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.42 -169.96 36.21 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.389 -1.085 . . . . 0.0 110.389 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.92 139.98 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.976 . . . . 0.0 109.99 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.17 155.57 34.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.1 158.99 43.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.039 -1.038 . . . . 0.0 110.226 -179.286 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.594 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -151.25 167.32 28.21 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.99 139.04 28.91 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.274 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -71.91 137.07 47.14 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.688 0.756 . . . . 0.0 112.154 -177.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.593 ' HZ1' ' CB ' ' A' ' 57' ' ' LYS . 2.7 ttmp? -44.86 157.86 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.746 -0.596 . . . . 0.0 109.447 178.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.65 137.55 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.807 -1.183 . . . . 0.0 108.121 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.0 p -71.66 141.51 49.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.614 -1.303 . . . . 0.0 109.404 -178.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.1 t -150.47 141.21 22.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.24 -0.913 . . . . 0.0 109.915 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -119.62 135.08 54.95 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.85 4.99 63.63 Favored Glycine 0 N--CA 1.497 2.742 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -63.47 -39.92 95.75 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.178 -1.189 . . . . 0.0 110.642 -179.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.32 -80.03 0.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.308 -0.87 . . . . 0.0 110.062 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -86.97 147.08 25.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.998 -1.064 . . . . 0.0 108.918 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.595 -179.511 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.61 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.467 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.726 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C1'-N19 110.666 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.497 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 C4'-C3'-C2' 106.256 3.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.566 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.049 1 O4'-C1'-N19 112.705 6.131 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.56 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.506 1 O4'-C1'-N19 112.149 5.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 112.181 5.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 0 O4'-C1'-N19 110.053 2.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.738 4.922 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.482 4.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.598 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.551 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.215 1 O4'-C1'-N19 111.155 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.512 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 1 O4'-C1'-N19 112.226 5.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.512 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 112.062 5.327 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.522 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.457 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C1' 1.45 2.271 1 O4'-C1'-N19 111.101 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.945 5.181 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.564 3.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.753 1 O4'-C1'-N19 111.581 4.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.255 0 O4'-C1'-N19 110.705 3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.545 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.461 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.132 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 5' ' ' THR . 40.5 mtmt . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.565 0.698 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -65.55 -35.62 81.4 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.97 118.61 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 -9.42 66.38 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.066 -1.022 . . . . 0.0 110.976 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 10.2 m -69.33 114.8 7.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.815 -1.403 . . . . 0.0 110.33 -179.058 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -118.58 141.76 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.8 t -60.05 118.81 6.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.74 -1.225 . . . . 0.0 111.216 -178.384 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -76.26 -38.91 55.6 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 120.985 -1.072 . . . . 0.0 111.825 -178.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -130.74 10.59 5.12 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.264 1.393 . . . . 0.0 112.975 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.0 mt-30 61.47 4.49 0.99 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 175.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -65.46 163.47 15.79 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.953 -1.717 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -135.37 15.74 3.44 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.027 178.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 28.0 p -120.36 48.48 1.58 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-O 121.882 0.848 . . . . 0.0 108.95 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 p -75.11 150.01 38.92 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 121.142 -0.974 . . . . 0.0 112.289 -176.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -75.0 -43.36 54.33 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.566 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 5.6 tp -144.21 130.94 20.17 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -79.85 129.94 34.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 0.0 109.95 -179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.716 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.4 mmt180 -117.92 122.48 43.39 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 0.0 108.94 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -71.91 142.42 49.48 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 119.656 -1.903 . . . . 0.0 107.595 178.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -90.4 156.68 45.54 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.178 -0.951 . . . . 0.0 108.946 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -49.07 -22.79 5.5 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.037 1.158 . . . . 0.0 112.977 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.9 tpp -92.64 -10.22 38.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 109.606 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.9 26.42 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.3 m-20 -101.32 112.67 65.4 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.476 -1.014 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -50.4 139.11 37.69 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 CA-C-N 120.215 1.112 . . . . 0.0 113.209 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -139.8 161.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.37 0 O-C-N 121.472 -0.767 . . . . 0.0 109.651 178.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.49 154.69 23.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.881 -1.137 . . . . 0.0 109.577 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.716 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.4 t-20 -43.34 -40.79 3.77 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.798 -0.564 . . . . 0.0 112.178 -178.019 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.24 42.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.486 -1.384 . . . . 0.0 111.95 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 m -57.8 -43.36 85.61 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.646 -1.284 . . . . 0.0 110.514 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.0 -49.48 66.83 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 119.439 -1.363 . . . . 0.0 110.152 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' ' HZ2' ' A' ' 36' ' ' LYS . 70.1 mt -66.93 -48.12 69.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.276 -1.132 . . . . 0.0 110.184 -179.4 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.474 ' CE2' ' OP1' ' C' ' 122' ' ' ' DT' . 55.3 t80 -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.807 -1.183 . . . . 0.0 108.836 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.6 t80 -68.17 -50.22 55.9 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.71 -0.619 . . . . 0.0 111.499 -178.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HZ2' ' CD2' ' A' ' 33' ' ' LEU . 50.4 pttt -60.52 -39.67 88.64 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 119.774 -1.829 . . . . 0.0 110.116 -178.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.31 -42.01 96.56 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.013 -1.054 . . . . 0.0 111.784 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.522 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.4 m-70 -123.02 -3.52 8.58 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.95 -1.094 . . . . 0.0 111.545 -177.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.7 tt0 42.38 56.44 3.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.539 -1.351 . . . . 0.0 111.633 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.39 153.1 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.46 129.55 34.82 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.121 -0.987 . . . . 0.0 110.532 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' CG ' HH11 ' A' ' 42' ' ' ARG . 3.8 ttt-85 -104.45 133.17 20.34 Favored Pre-proline 0 N--CA 1.503 2.189 0 O-C-N 121.27 -0.894 . . . . 0.0 109.421 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.5 Cg_exo -48.35 152.46 3.79 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 120.954 1.103 . . . . 0.0 114.013 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.9 5.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.753 -0.592 . . . . 0.0 110.428 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.533 ' H ' ' C ' ' A' ' 43' ' ' PRO . 64.5 p -60.91 -14.53 22.94 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 109.077 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.457 ' SD ' ' OP1' ' C' ' 123' ' ' ' DT' . 9.9 ttt -100.0 -7.78 24.68 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.576 -0.703 . . . . 0.0 109.343 -179.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -78.4 132.39 37.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.409 -0.807 . . . . 0.0 110.712 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -124.23 139.89 53.49 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -43.57 -86.29 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.119 -0.988 . . . . 0.0 110.32 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.95 -174.14 21.42 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 14' ' ' THR . 2.8 mt -91.07 142.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.262 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.97 153.79 30.07 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 165.22 27.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.979 -1.075 . . . . 0.0 111.165 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -149.57 163.15 38.64 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.995 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.87 138.79 57.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.26 -0.9 . . . . 0.0 108.808 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.81 130.33 43.74 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.354 -0.842 . . . . 0.0 110.36 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -58.73 -173.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.404 -0.81 . . . . 0.0 109.587 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.95 142.35 12.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.1 p -79.54 117.9 20.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.042 -1.036 . . . . 0.0 109.82 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -160.1 150.66 18.72 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.78 146.99 29.64 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.402 -0.811 . . . . 0.0 108.847 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.49 123.81 6.65 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -100.01 110.0 22.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.111 . . . . 0.0 109.56 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -67.91 -36.23 79.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.066 -1.021 . . . . 0.0 109.035 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.28 143.18 50.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.674 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.306 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.897 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.391 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.441 ' OP1' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.179 0 O4'-C1'-N19 110.669 3.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.511 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.028 1 O4'-C1'-N19 111.755 4.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.575 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.795 3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.475 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 1 O4'-C1'-N19 111.51 4.638 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.433 ' OP1' ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.425 0 C3'-C2'-C1' 107.223 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 111.382 4.478 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.221 4.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.704 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.439 3.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.236 1 O4'-C1'-N19 111.093 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 1 O4'-C1'-N19 111.943 5.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.55 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.619 4.774 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.55 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.725 4.907 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.467 ' OP1' ' CD2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.285 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.333 1 O4'-C1'-N19 111.59 4.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.515 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.702 1 O4'-C1'-N19 111.3 4.375 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.515 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C1'-N19 112.055 5.318 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.968 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.511 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.641 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 1 O4'-C1'-N19 111.66 4.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.374 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.448 ' O ' ' OG1' ' A' ' 5' ' ' THR . 56.1 mtpt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.542 ' H ' ' NE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -64.29 -39.28 93.61 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.413 179.849 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.04 119.63 4.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.7 -0.625 . . . . 0.0 111.161 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.36 -8.87 69.33 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 178.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.6 m -66.28 117.76 9.01 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.837 -1.39 . . . . 0.0 110.914 -178.487 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.62 140.76 43.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.1 t -63.91 117.59 7.2 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.367 -1.458 . . . . 0.0 109.339 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -60.89 -40.0 91.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.321 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -73.55 -39.22 64.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.005 -178.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 12' ' ' THR . 12.1 p -129.33 14.64 6.12 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.003 1.274 . . . . 0.0 112.23 -178.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.4 mm-40 55.08 -0.34 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.874 -1.141 . . . . 0.0 113.097 177.302 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.409 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.0 t -60.45 145.25 48.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 119.958 -1.714 . . . . 0.0 107.963 179.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.18 -6.9 15.4 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.377 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -101.77 120.13 39.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 p -144.49 146.96 32.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.127 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -73.2 -39.97 65.13 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.573 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 8.9 tp -144.62 131.84 20.62 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.068 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -79.6 130.41 35.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.005 -1.059 . . . . 0.0 110.146 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.702 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.7 mmt180 -111.73 179.66 3.95 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.41 -0.806 . . . . 0.0 109.655 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -130.82 140.13 50.24 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.747 ' HG ' ' H ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -92.19 159.81 36.64 Favored Pre-proline 0 N--CA 1.504 2.242 0 O-C-N 120.828 -1.17 . . . . 0.0 109.376 179.854 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -53.94 -13.36 4.4 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 120.957 1.104 . . . . 0.0 112.089 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.747 ' H ' ' HG ' ' A' ' 21' ' ' SER . 36.5 ttm -98.85 -11.34 21.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.427 -0.796 . . . . 0.0 109.66 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.74 27.87 15.74 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.5 m-20 -102.25 114.01 65.63 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.196 -1.179 . . . . 0.0 109.258 179.716 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -48.95 137.04 28.71 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 CA-C-N 120.041 1.05 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.89 159.8 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.505 -0.747 . . . . 0.0 110.156 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 p -84.14 155.26 22.68 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.795 -1.19 . . . . 0.0 110.032 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.702 ' ND2' HH21 ' A' ' 19' ' ' ARG . 43.0 t-20 -45.04 -35.06 2.78 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.353 -0.842 . . . . 0.0 111.412 -178.042 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.22 16.93 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.855 -1.153 . . . . 0.0 111.555 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.5 m -57.84 -41.56 82.57 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.577 -1.327 . . . . 0.0 110.549 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.94 73.12 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 119.069 -1.538 . . . . 0.0 110.677 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.9 -45.43 70.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.983 -1.304 . . . . 0.0 109.563 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.0 -49.33 78.11 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.942 -1.099 . . . . 0.0 108.939 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.6 t80 -64.18 -47.78 78.51 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.532 0.682 . . . . 0.0 110.539 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.93 -41.85 92.7 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.215 -1.553 . . . . 0.0 110.025 -178.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.15 -39.94 75.07 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.163 -0.96 . . . . 0.0 111.684 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' CD2' ' OP1' ' C' ' 122' ' ' ' DT' . 88.7 m-70 -121.54 5.35 10.11 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.943 -1.098 . . . . 0.0 112.286 -178.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER 30.41 48.72 0.06 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.045 -1.034 . . . . 0.0 113.44 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.95 150.73 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 108.814 178.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.07 135.31 34.46 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.771 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.21 149.99 50.52 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.912 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -43.4 152.7 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.159 1.24 . . . . 0.0 113.172 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 46' ' ' MET . 8.0 mp -82.16 4.39 23.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 109.678 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 p -55.03 -6.43 0.13 Allowed 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.549 -0.719 . . . . 0.0 109.526 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -90.43 -18.22 25.8 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.174 -0.954 . . . . 0.0 110.686 -179.532 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 137.7 36.49 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.871 -1.143 . . . . 0.0 111.203 -178.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 50' ' ' GLY . 52.4 mtpt -128.67 151.31 49.66 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -52.23 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 112.255 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.78 175.28 32.15 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 120.363 -1.461 . . . . 0.0 110.228 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.32 134.39 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.291 . . . . 0.0 108.018 178.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.95 148.69 48.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.78 155.02 48.52 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.727 -1.233 . . . . 0.0 110.273 -179.47 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH2' ' OP1' ' B' ' 113' ' ' ' DC' . 7.6 tpt180 -150.94 165.71 32.85 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.227 -179.347 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -52.89 139.44 27.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -62.43 130.02 43.3 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.822 0.82 . . . . 0.0 112.079 -177.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -43.64 162.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.869 -0.52 . . . . 0.0 109.68 178.77 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 57' ' ' LYS . 53.9 t -59.36 146.45 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.488 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -85.55 109.99 18.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.759 -1.213 . . . . 0.0 108.702 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 t -127.97 134.09 49.25 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -88.69 127.77 35.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.142 -0.974 . . . . 0.0 108.942 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.86 24.13 2.42 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -154.67 57.89 0.68 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.971 -1.311 . . . . 0.0 109.529 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.93 -40.03 75.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.265 -0.897 . . . . 0.0 109.845 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -144.37 140.07 28.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.555 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.177 2.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.073 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.539 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.665 3.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.548 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.187 1 O4'-C1'-N19 112.354 5.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.548 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.292 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.52 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.835 5.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.401 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.207 0 C3'-C2'-C1' 106.835 2.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.306 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . 0.5 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.838 5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.298 4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.466 " O5'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.586 4.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.519 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 112.179 5.473 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.519 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 112.018 5.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.496 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.241 1 O4'-C1'-N19 111.423 4.528 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.102 1 O4'-C1'-N19 111.514 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.574 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.822 0 O5'-C5'-C4' 115.0 3.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.543 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.99 5.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 O4'-C1'-N19 110.611 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.433 4.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.539 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.243 3.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.516 3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.228 4.284 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.01 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.566 ' N ' ' CD ' ' A' ' 2' ' ' ARG . 3.5 mpt_? -89.18 36.8 0.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 108.785 -179.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 122.99 17.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.316 -0.865 . . . . 0.0 111.494 -178.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.32 -22.64 6.03 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.363 -0.836 . . . . 0.0 112.152 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -68.57 113.64 6.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.566 -1.55 . . . . 0.0 110.754 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -119.22 141.14 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 46.2 t -63.62 119.19 9.39 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.774 -1.204 . . . . 0.0 110.505 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -59.98 -40.02 87.69 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.706 -0.621 . . . . 0.0 110.399 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -74.67 -39.8 61.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.849 -1.157 . . . . 0.0 112.148 -177.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.9 p -130.1 9.47 5.28 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.638 -1.289 . . . . 0.0 112.355 -178.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 18.2 tt0 61.66 0.03 0.45 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.573 -1.329 . . . . 0.0 112.498 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -61.25 142.35 56.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 119.756 -1.84 . . . . 0.0 108.739 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -105.11 -8.6 18.33 Favored 'General case' 0 N--CA 1.508 2.449 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.0 p -100.78 121.18 41.25 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.1 p -147.16 150.85 35.76 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.069 -1.019 . . . . 0.0 109.974 -179.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -77.43 -39.07 48.16 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 177.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 4.8 tp -146.7 131.59 18.1 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.45 -0.782 . . . . 0.0 108.983 178.476 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.493 ' HE1' ' HG2' ' A' ' 2' ' ' ARG . 78.1 m95 -80.3 129.47 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.735 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.5 mmt180 -115.25 119.11 35.23 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.053 -1.029 . . . . 0.0 109.334 -179.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.26 141.08 55.99 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.065 -1.647 . . . . 0.0 106.648 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.66 156.19 45.22 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.0 -1.063 . . . . 0.0 109.262 -179.351 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.01 -22.15 7.32 Favored 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 120.766 0.977 . . . . 0.0 112.637 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmt -91.43 -10.61 40.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.106 -0.996 . . . . 0.0 110.06 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.21 30.74 10.52 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -110.11 112.16 57.73 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.399 -1.059 . . . . 0.0 109.451 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.92 133.28 39.83 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 CA-C-N 120.093 1.069 . . . . 0.0 113.303 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 m -136.42 160.16 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.419 0 O-C-N 121.681 -0.637 . . . . 0.0 109.483 178.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.71 155.75 24.14 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.945 -1.097 . . . . 0.0 109.6 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.735 ' ND2' HH21 ' A' ' 19' ' ' ARG . 30.2 t-20 -45.44 -41.82 9.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.589 -0.694 . . . . 0.0 111.425 -178.391 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.43 29.32 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.824 -1.173 . . . . 0.0 110.927 -178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -58.49 -43.31 88.96 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.804 -1.185 . . . . 0.0 109.954 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.06 20.4 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.339 -1.41 . . . . 0.0 110.07 -178.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.53 -50.37 71.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.512 -0.993 . . . . 0.0 111.336 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.585 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 50.0 t80 -60.75 -43.53 97.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.775 -1.203 . . . . 0.0 109.871 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.2 t80 -61.69 -48.85 78.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.139 -0.976 . . . . 0.0 109.538 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -43.31 95.1 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 120.015 -1.678 . . . . 0.0 110.108 -179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.78 -42.02 70.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.981 -1.074 . . . . 0.0 111.553 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 25.2 m-70 -112.96 -13.81 13.08 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.978 -1.076 . . . . 0.0 111.847 -177.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' TYR . 40.2 tt0 44.72 58.34 3.99 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.532 -1.355 . . . . 0.0 111.715 179.15 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.69 149.81 13.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.77 137.75 32.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.308 -0.87 . . . . 0.0 108.796 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -120.54 151.3 53.81 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -178.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.0 Cg_endo -62.45 152.86 74.71 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 121.472 1.448 . . . . 0.0 113.66 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD2' HH11 ' A' ' 47' ' ' ARG . 11.0 mp -65.0 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.519 -0.738 . . . . 0.0 111.096 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.554 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.2 t -69.91 -17.42 63.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.884 -1.135 . . . . 0.0 109.298 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -100.15 -2.3 34.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.17 -0.956 . . . . 0.0 109.499 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 HH11 ' CD2' ' A' ' 44' ' ' LEU . 73.5 ttt180 -77.69 129.57 35.7 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.427 -0.795 . . . . 0.0 110.404 -179.063 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -130.5 155.49 46.39 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.67 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.82 -1.175 . . . . 0.0 110.794 -178.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.13 -171.82 35.9 Favored Glycine 0 N--CA 1.497 2.722 0 O-C-N 120.934 -1.104 . . . . 0.0 111.164 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.98 146.13 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.546 -0.973 . . . . 0.0 109.346 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.4 155.7 27.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.512 -0.742 . . . . 0.0 109.225 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.19 158.52 44.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 109.706 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -149.93 155.63 40.32 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -55.42 138.38 46.15 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.044 -1.035 . . . . 0.0 108.48 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.92 129.49 41.18 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.306 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.1 -171.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.834 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.66 135.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -78.61 121.05 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -132.71 142.41 49.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.412 -0.805 . . . . 0.0 109.76 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -129.03 137.85 51.56 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.61 81.71 1.56 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -68.0 -37.52 81.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -1.178 . . . . 0.0 110.121 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -157.07 -39.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.833 -1.167 . . . . 0.0 111.262 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -109.79 126.06 53.38 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.152 -0.968 . . . . 0.0 109.54 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.372 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C1'-N19 110.828 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.866 3.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C1'-N19 111.306 4.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.53 ' OP2' ' NE ' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.28 1 O4'-C1'-N19 111.223 4.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.481 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.049 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.574 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 2.025 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.475 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.073 1 O4'-C1'-N19 111.576 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 111.14 4.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.456 2.773 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.799 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 112.196 5.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O4'-C1'-N19 110.07 2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.548 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.55 1 O4'-C1'-N19 111.025 4.031 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.108 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.73 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.992 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.588 1 O4'-C1'-N19 111.611 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.018 1 O4'-C1'-N19 111.906 5.132 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.56 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 112.247 5.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.56 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.458 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 C5'--C4' 1.531 2.483 1 O4'-C1'-N19 111.322 4.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.408 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.489 1 O4'-C1'-N19 111.269 4.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.498 ' C4 ' ' N4 ' ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.245 1 O4'-C1'-N19 113.118 6.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.498 ' N4 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.207 0 C3'-C2'-C1' 107.304 3.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.445 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 C3'-C2'-C1' 107.045 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . 0.474 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.141 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . 0.474 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 5' ' ' THR . 51.7 tttp . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' NE ' ' OP2' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -99.85 -0.57 39.41 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.336 -0.852 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.73 113.77 14.75 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.916 -1.115 . . . . 0.0 109.983 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -10.13 51.69 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 8.2 m -66.19 118.53 10.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.913 -1.345 . . . . 0.0 110.095 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -119.13 137.75 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.9 t -60.1 119.42 7.8 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.664 -1.273 . . . . 0.0 110.063 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -59.96 -40.03 87.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.726 -0.609 . . . . 0.0 110.289 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -76.76 -39.48 51.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 113.142 -177.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.53 11.28 5.76 Favored 'General case' 0 N--CA 1.509 2.499 0 CA-C-N 120.357 1.435 . . . . 0.0 111.881 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' CYS . 13.6 mp0 59.76 0.41 0.24 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 112.987 177.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -60.34 142.25 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.032 -1.668 . . . . 0.0 107.961 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -106.12 -9.16 17.09 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -99.34 119.69 38.36 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.168 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.8 p -143.75 146.35 33.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 109.488 -179.159 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.438 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 4.4 p -77.35 -40.61 43.41 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.574 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.4 tp -144.46 128.31 17.36 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.81 130.57 35.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.776 -1.203 . . . . 0.0 109.552 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.659 HH21 ' ND2' ' A' ' 29' ' ' ASN . 17.0 mmt180 -115.34 119.16 35.35 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.171 -0.955 . . . . 0.0 109.891 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.46 141.94 53.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 119.881 -1.762 . . . . 0.0 106.733 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 159.17 38.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 -178.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.59 -23.7 15.53 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.678 1.585 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.14 -11.75 29.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.264 -0.898 . . . . 0.0 109.111 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.73 32.92 7.73 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -109.89 110.92 58.91 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.126 -1.22 . . . . 0.0 109.385 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.23 130.28 24.2 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 120.766 0.977 . . . . 0.0 113.663 -179.251 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.57 161.19 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.757 -0.589 . . . . 0.0 109.672 178.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.89 157.83 22.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.892 -1.13 . . . . 0.0 110.372 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.659 ' ND2' HH21 ' A' ' 19' ' ' ARG . 40.9 t-20 -48.56 -33.98 10.63 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.38 -0.825 . . . . 0.0 111.762 -177.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.42 -52.04 15.13 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.391 -1.443 . . . . 0.0 111.013 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.3 m -57.06 -46.24 82.61 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.75 -50.1 55.46 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.465 -1.35 . . . . 0.0 110.557 -177.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -70.04 -47.99 59.75 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.214 -1.168 . . . . 0.0 110.781 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.14 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.726 -1.234 . . . . 0.0 109.446 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.3 t80 -64.99 -46.91 79.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.516 0.674 . . . . 0.0 111.102 -178.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -58.79 -43.33 90.47 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.109 -1.619 . . . . 0.0 111.157 -178.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.97 -40.43 75.37 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.913 -1.117 . . . . 0.0 111.819 -178.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.56 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 60.4 m-70 -117.8 3.96 12.24 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.032 -1.043 . . . . 0.0 111.843 -177.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.631 ' N ' ' O ' ' A' ' 35' ' ' TYR . 20.3 pt20 32.27 43.54 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.936 -1.102 . . . . 0.0 113.227 178.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.55 154.57 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 108.815 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -85.31 150.16 24.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.716 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.16 150.27 73.72 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 120.953 -1.092 . . . . 0.0 109.892 -178.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' C ' ' H ' ' A' ' 45' ' ' THR . 17.3 Cg_exo -46.47 153.14 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.092 1.195 . . . . 0.0 113.702 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' HG ' ' HE ' ' A' ' 47' ' ' ARG . 11.1 mp -75.79 31.78 0.11 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.515 -0.741 . . . . 0.0 109.376 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.465 ' H ' ' C ' ' A' ' 43' ' ' PRO . 11.5 t -66.84 -12.43 59.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.0 110.201 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.458 ' SD ' ' OP1' ' C' ' 123' ' ' ' DT' . 42.7 mtt -99.31 -17.6 17.97 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.965 -1.084 . . . . 0.0 110.271 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 HH22 ' NE ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -81.19 129.28 34.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.079 -1.013 . . . . 0.0 111.312 -178.371 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 17.4 tptp -130.36 -140.24 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.48 ' H ' ' CG ' ' A' ' 48' ' ' LYS . 21.8 m-20 -93.34 -87.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.103 -0.998 . . . . 0.0 109.068 179.011 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.36 -166.67 29.83 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.94 136.8 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.486 -1.008 . . . . 0.0 110.237 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.72 150.01 43.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 158.07 45.12 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.559 -1.338 . . . . 0.0 110.68 -179.075 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -145.57 162.5 37.3 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.878 0.847 . . . . 0.0 110.125 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.36 141.36 56.37 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.546 0.689 . . . . 0.0 110.467 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -66.96 130.43 43.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.021 179.808 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HD2' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -54.78 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.794 . . . . 0.0 109.694 179.037 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.3 m -59.78 141.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.1 p -69.98 149.97 47.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.783 -1.198 . . . . 0.0 109.744 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.6 t -147.92 139.62 23.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.451 -0.781 . . . . 0.0 109.629 -179.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -171.55 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.2 -31.07 79.45 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.091 -1.603 . . . . 0.0 109.091 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -60.0 138.26 57.89 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.439 -1.036 . . . . 0.0 109.316 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -141.22 157.53 45.12 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.93 153.28 48.51 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.515 -0.741 . . . . 0.0 109.473 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.216 179.807 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.305 4.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.983 0 O4'-C1'-N19 110.211 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.602 4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.111 4.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.538 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.374 0 O4'-C1'-N19 110.743 3.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.602 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.443 1.804 1 O4'-C1'-N19 112.271 5.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.034 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.368 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.447 ' N6 ' ' O4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.101 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.201 1 O4'-C1'-N19 111.742 4.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.4 " H5'" HH21 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.507 0 C3'-C2'-C1' 107.06 3.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 111.325 4.407 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.469 4.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.45 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.608 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 112.282 5.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.528 1 O4'-C1'-N19 112.861 6.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.537 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 2.042 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.26 1 O4'-C1'-N19 111.092 4.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.546 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.408 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 ' C4 ' ' C5 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.749 1 O4'-C1'-N19 112.122 5.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.679 ' P ' ' HE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.725 0 C3'-C2'-C1' 106.913 3.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . 0.483 ' P ' ' OG ' ' A' ' 60' ' ' SER . . . . . . . . 0 C5'--C4' 1.534 2.869 1 O4'-C1'-N19 111.798 4.998 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.538 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 O4'-C1'-N19 110.961 3.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.522 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' O ' ' OG1' ' A' ' 5' ' ' THR . 66.4 mttm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.541 HH11 ' HE1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -60.2 -41.97 94.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.449 -0.782 . . . . 0.0 111.588 -177.968 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.68 113.34 1.27 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.061 -1.024 . . . . 0.0 111.378 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -4.54 83.29 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.333 -0.854 . . . . 0.0 111.356 178.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 5.2 m -67.42 119.2 11.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.921 -1.34 . . . . 0.0 111.384 -178.368 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 m -121.05 141.57 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -63.68 119.66 10.32 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.51 -1.369 . . . . 0.0 110.93 -178.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -60.02 -39.17 84.92 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.809 -0.557 . . . . 0.0 109.735 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -76.63 -39.35 52.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.951 -1.093 . . . . 0.0 112.257 -178.088 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 p -130.18 13.34 5.64 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 120.278 1.399 . . . . 0.0 112.519 -178.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.7 mp0 56.92 2.07 0.1 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.879 -1.138 . . . . 0.0 113.71 176.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -61.72 158.63 15.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 119.999 -1.688 . . . . 0.0 107.837 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 p -135.54 16.22 3.39 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 120.901 -1.125 . . . . 0.0 109.011 178.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.5 p -117.33 48.96 1.25 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -80.06 150.62 30.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.053 -1.03 . . . . 0.0 111.143 -176.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.521 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 41.5 p -79.96 -34.84 38.37 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 177.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.602 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 3.9 tp -142.91 130.44 21.23 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' HE1' HH11 ' A' ' 2' ' ' ARG . 54.3 m95 -83.11 126.95 33.14 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.985 -1.072 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 19' ' ' ARG . 1.5 mmt-85 -115.62 125.88 53.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.78 -179.293 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -79.23 143.61 35.15 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 155.26 44.04 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 120.969 -1.082 . . . . 0.0 109.888 -178.717 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -48.91 -25.05 8.04 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.209 1.273 . . . . 0.0 113.089 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mtp -90.89 -12.63 35.58 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.193 -0.942 . . . . 0.0 109.641 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.91 24.16 13.74 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.88 114.44 65.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.277 -1.131 . . . . 0.0 109.093 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -49.35 131.4 27.16 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 CA-C-N 120.125 1.08 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -138.28 159.28 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.24 -0.913 . . . . 0.0 110.415 178.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.62 154.72 26.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -49.67 -35.94 23.27 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.12 -0.987 . . . . 0.0 110.287 -177.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -58.82 5.16 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.146 -0.971 . . . . 0.0 110.913 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.8 m -55.09 -42.84 73.36 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.773 -1.204 . . . . 0.0 109.777 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.76 -44.27 91.74 Favored Glycine 0 C--N 1.29 -2.0 0 C-N-CA 118.991 -1.576 . . . . 0.0 109.852 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -72.03 -53.26 13.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -1.174 . . . . 0.0 110.579 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.94 -46.62 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.991 -1.068 . . . . 0.0 109.629 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.0 t80 -60.02 -44.18 94.78 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 109.739 -178.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.05 -43.47 95.35 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.292 -1.505 . . . . 0.0 109.386 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -72.28 -41.74 66.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 111.928 -179.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' NE2' ' OP2' ' C' ' 122' ' ' ' DT' . 64.0 m-70 -113.6 -8.55 13.3 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.887 -1.133 . . . . 0.0 112.202 -176.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.623 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.4 pt20 38.53 50.3 1.53 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.563 -1.336 . . . . 0.0 112.847 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -142.51 150.41 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 31.4 p-10 -86.44 134.78 33.67 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.119 -0.988 . . . . 0.0 109.541 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 mmm-85 -111.42 151.49 43.28 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.254 -0.904 . . . . 0.0 108.93 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.1 Cg_endo -60.7 153.61 60.92 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 121.67 1.58 . . . . 0.0 113.593 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.65 7.06 0.05 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 110.107 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.54 ' H ' ' C ' ' A' ' 43' ' ' PRO . 24.2 p -63.75 -12.29 33.8 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.94 -1.1 . . . . 0.0 108.793 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -10.48 26.87 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.983 0.896 . . . . 0.0 108.594 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.53 129.11 36.7 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.506 0.67 . . . . 0.0 109.956 -178.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -123.72 137.96 54.61 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -43.5 -87.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 110.546 -178.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.6 -177.42 27.44 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -92.78 146.21 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.332 -1.099 . . . . 0.0 110.161 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -81.31 148.28 29.48 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.02 166.91 22.91 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.696 -1.252 . . . . 0.0 109.815 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.84 161.42 42.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.409 -0.807 . . . . 0.0 110.668 -178.524 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.68 139.94 52.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.818 . . . . 0.0 109.078 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.679 ' HE ' ' P ' ' C' ' 126' ' ' ' DC' . 5.4 mmt-85 -65.85 132.89 49.76 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 110.927 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' C ' ' H ' ' A' ' 59' ' ' SER . 20.5 pttt -77.26 159.95 29.24 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.575 ' C ' ' H ' ' A' ' 60' ' ' SER . 2.9 p -65.22 -2.72 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.211 -0.931 . . . . 0.0 110.04 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 57' ' ' LYS . 3.1 t -51.94 -2.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.439 -0.788 . . . . 0.0 110.657 -178.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.575 ' H ' ' C ' ' A' ' 58' ' ' VAL . 6.9 t -141.64 79.66 1.69 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.044 -1.035 . . . . 0.0 110.61 -179.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -153.63 159.38 42.08 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 178.483 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.35 71.27 0.34 Allowed Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.026 -1.279 . . . . 0.0 109.341 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' CB ' ' HZ1' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -116.95 -6.68 11.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.69 -0.631 . . . . 0.0 110.123 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' CG ' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.64 140.01 51.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.937 . . . . 0.0 109.577 -179.853 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.197 179.911 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.598 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.458 0 O4'-C1'-N19 110.999 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.737 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.512 ' P ' HH21 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.439 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.337 0 O4'-C1'-N19 110.277 3.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.551 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.447 2.072 1 O4'-C1'-N19 112.425 5.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.551 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.247 4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.97 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 2.66 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.528 3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.712 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.731 0 C4'-C3'-C2' 106.157 2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.564 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.86 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.597 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.4 0 O4'-C1'-N19 110.566 3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.564 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 111.482 4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.399 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.552 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.305 1 O4'-C1'-N19 112.02 5.275 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.552 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.928 5.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.542 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 O4'--C1' 1.442 1.691 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.472 ' OP1' ' NH2' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.45 2.317 1 O4'-C1'-N19 111.473 4.592 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.514 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.514 ' C4 ' ' C5 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.65 4.812 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.352 0 C3'-C2'-C1' 107.391 3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.364 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.459 0 O4'-C1'-N19 110.77 3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.759 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.4 tptp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.512 HH21 ' P ' ' B' ' 105' ' ' ' DC' . 13.8 mmt180 -90.92 -27.54 18.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.376 -0.827 . . . . 0.0 109.69 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.27 120.06 5.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.365 -0.834 . . . . 0.0 110.884 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.64 -10.03 60.63 Favored Glycine 0 N--CA 1.495 2.597 0 C-N-CA 120.327 -0.939 . . . . 0.0 110.991 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -69.74 111.83 5.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.724 -1.456 . . . . 0.0 110.078 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.88 140.48 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.3 t -59.94 118.14 5.89 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.554 -1.341 . . . . 0.0 109.545 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -59.93 -39.97 87.32 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.618 -0.676 . . . . 0.0 109.699 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.2 -38.59 60.7 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.937 -1.102 . . . . 0.0 111.495 -178.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.614 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.6 p -131.74 17.63 4.73 Favored 'General case' 0 N--CA 1.511 2.622 0 CA-C-N 120.266 1.394 . . . . 0.0 113.133 -178.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 40.8 tp60 54.47 -4.01 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.522 -1.361 . . . . 0.0 113.381 176.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' CYS . 12.6 t -57.0 140.02 50.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 119.428 -2.045 . . . . 0.0 108.561 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.1 p -104.03 -9.23 18.97 Favored 'General case' 0 N--CA 1.512 2.67 0 O-C-N 121.091 -1.006 . . . . 0.0 108.439 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -102.99 122.61 44.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 p -146.52 148.93 32.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.228 -0.92 . . . . 0.0 109.412 -179.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 7.0 p -72.12 -40.42 68.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 178.185 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 9.6 tp -145.5 131.72 19.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -78.35 128.37 33.57 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.025 -1.047 . . . . 0.0 108.955 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' NH1' HD21 ' A' ' 29' ' ' ASN . 3.6 mmt-85 -112.46 -179.53 3.69 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.578 0.704 . . . . 0.0 109.272 179.292 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -130.54 140.53 50.48 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.35 159.97 38.07 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.96 -20.27 17.72 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.368 1.379 . . . . 0.0 112.618 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -8.95 51.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.052 -1.03 . . . . 0.0 109.923 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 27.23 19.22 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.04 118.46 59.18 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.67 -0.9 . . . . 0.0 109.93 -179.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -51.81 132.64 42.62 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 119.967 1.024 . . . . 0.0 111.886 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.58 159.95 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.339 -0.85 . . . . 0.0 110.813 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.62 153.27 25.52 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.484 HD21 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -47.6 -37.68 12.99 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.086 -1.009 . . . . 0.0 112.378 -176.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.19 -50.18 61.9 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.493 -1.379 . . . . 0.0 111.489 -178.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.1 m -58.84 -42.83 90.21 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.572 -1.33 . . . . 0.0 111.179 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.39 -46.97 91.28 Favored Glycine 0 C--N 1.29 -1.992 0 C-N-CA 119.055 -1.545 . . . . 0.0 110.363 -177.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -69.13 -51.96 33.08 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.341 -1.093 . . . . 0.0 110.238 -179.355 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -60.02 -44.49 94.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.568 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.67 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.1 t80 -64.1 -47.72 78.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.257 -0.902 . . . . 0.0 109.731 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -60.06 -40.83 90.81 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.118 -1.614 . . . . 0.0 110.638 -179.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.14 -40.0 75.04 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.731 -1.231 . . . . 0.0 111.419 -179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.542 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.1 m-70 -116.51 -4.61 11.74 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.977 -1.077 . . . . 0.0 112.01 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.67 ' N ' ' O ' ' A' ' 35' ' ' TYR . 60.1 tt0 39.74 51.19 2.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.595 -1.315 . . . . 0.0 111.666 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -147.83 154.58 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -86.06 138.8 31.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 109.29 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 11.8 ptt180 -119.0 150.1 48.06 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 121.142 -0.974 . . . . 0.0 109.551 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.7 148.24 66.42 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 120.917 1.078 . . . . 0.0 112.719 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -69.93 -19.81 63.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.529 -0.732 . . . . 0.0 110.969 -179.248 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 81.4 p -44.15 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.366 -0.834 . . . . 0.0 110.136 -178.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.541 ' N ' ' O ' ' A' ' 44' ' ' LEU . 25.3 ttt -80.27 -39.16 29.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.993 -1.067 . . . . 0.0 110.937 -179.178 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.614 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -76.24 164.46 26.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.331 -0.856 . . . . 0.0 110.28 -179.157 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -134.16 159.5 40.68 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.05 -83.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.278 -0.889 . . . . 0.0 110.993 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.67 -173.99 11.77 Favored Glycine 0 N--CA 1.497 2.744 0 O-C-N 120.92 -1.113 . . . . 0.0 110.672 -178.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.3 138.44 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.299 -1.118 . . . . 0.0 109.321 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -77.44 149.26 35.1 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -141.32 156.74 45.82 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.74 -1.225 . . . . 0.0 110.837 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -141.04 165.71 26.8 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.36 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -60.02 136.0 57.88 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -61.76 129.98 43.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 110.444 -178.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -60.93 -179.83 0.15 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.386 -0.821 . . . . 0.0 110.019 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.3 m -54.66 158.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.417 -0.802 . . . . 0.0 109.327 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.6 p -84.6 100.59 11.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.946 -1.096 . . . . 0.0 109.175 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -157.15 148.02 21.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 109.805 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -157.39 -58.64 0.08 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.208 -0.932 . . . . 0.0 108.518 179.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.5 -164.67 28.36 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -134.8 145.67 48.59 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.335 -1.097 . . . . 0.0 109.108 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -61.34 139.97 58.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.15 -0.969 . . . . 0.0 109.967 -179.178 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -148.17 150.23 33.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.469 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 1 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.753 3.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 0 C4'-C3'-C2' 106.212 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.506 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.523 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 1.975 1 O4'-C1'-N19 112.048 5.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.473 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.081 4.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.445 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.414 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.449 2.247 1 O4'-C1'-N19 112.268 5.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.436 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.861 0 C3'-C2'-C1' 107.187 3.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.565 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.733 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.397 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . 0.423 ' O2 ' ' H2 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.893 3.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.747 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.495 0 O4'-C1'-N19 110.426 3.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.565 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.403 ' N3 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.204 4.254 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.44 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.576 4.72 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.44 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.636 4.795 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.441 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.265 1 O4'-C1'-N19 111.477 4.597 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.334 1 O4'-C1'-N19 111.896 5.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.501 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.946 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.501 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.562 1 O4'-C1'-N19 111.629 4.786 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.814 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.506 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 O4'-C1'-N19 110.718 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -96.84 -3.06 42.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.518 -0.739 . . . . 0.0 109.539 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.43 114.72 11.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.458 -0.776 . . . . 0.0 110.417 -179.153 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -12.44 34.14 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -70.04 113.93 7.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.813 -1.404 . . . . 0.0 110.166 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.65 141.53 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.204 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' GLN . 39.5 t -58.38 117.78 4.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.556 -1.34 . . . . 0.0 109.849 -179.545 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -60.0 -38.49 82.79 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.679 -0.638 . . . . 0.0 109.847 179.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.22 -37.94 32.06 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.965 -1.085 . . . . 0.0 112.058 -177.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -129.05 16.36 6.21 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 120.638 1.563 . . . . 0.0 113.008 -178.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' CYS . 34.7 tt0 59.04 -4.16 0.08 Allowed 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 175.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -58.8 150.96 22.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 119.21 -2.181 . . . . 0.0 109.062 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -130.12 18.79 5.46 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 120.988 -1.07 . . . . 0.0 108.52 178.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.2 p -123.86 48.9 1.81 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -78.28 153.04 32.16 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.195 -0.941 . . . . 0.0 111.353 -176.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.568 ' HG1' ' N ' ' A' ' 17' ' ' LEU . 82.3 p -77.41 -39.81 45.76 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' N ' ' HG1' ' A' ' 16' ' ' THR . 6.7 tp -142.16 132.56 25.09 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -80.44 128.34 33.47 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.142 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' NH1' HD21 ' A' ' 29' ' ' ASN . 4.3 mmt-85 -116.95 130.95 57.03 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.706 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.8 mmt-85 -83.48 146.18 28.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.382 -1.449 . . . . 0.0 107.121 178.403 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 159.89 36.84 Favored Pre-proline 0 N--CA 1.504 2.256 0 O-C-N 120.829 -1.17 . . . . 0.0 109.907 -179.428 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.53 -23.86 8.32 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.341 1.361 . . . . 0.0 112.82 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.5 mtt -91.07 -9.16 46.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.127 -0.983 . . . . 0.0 109.849 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.27 24.84 25.58 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -179.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.77 117.24 62.08 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.41 -1.053 . . . . 0.0 109.46 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -50.13 126.25 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.261 1.129 . . . . 0.0 113.055 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.07 159.34 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 O-C-N 121.445 -0.784 . . . . 0.0 109.734 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -82.37 153.45 25.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.946 . . . . 0.0 109.527 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.509 HD21 ' NH1' ' A' ' 19' ' ' ARG . 27.7 t-20 -49.98 -29.98 9.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -0.871 . . . . 0.0 111.293 -177.191 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -53.41 12.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.701 -1.249 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.43 -42.57 87.55 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.644 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.86 -48.61 65.8 Favored Glycine 0 C--N 1.292 -1.902 0 C-N-CA 118.837 -1.649 . . . . 0.0 109.734 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.01 -52.44 24.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.212 -1.169 . . . . 0.0 110.918 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 32.3 t80 -60.01 -44.04 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.774 -1.204 . . . . 0.0 109.671 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.4 t80 -61.87 -46.35 89.79 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 -179.038 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.94 -42.1 93.28 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 119.988 -1.695 . . . . 0.0 110.307 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.29 -43.35 67.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.926 -1.108 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 78.8 m-70 -111.77 -3.22 15.03 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.05 -1.031 . . . . 0.0 112.165 -177.785 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.8 pt20 37.78 44.88 0.61 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.427 -1.421 . . . . 0.0 112.998 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.76 157.15 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 14.5 p-10 -84.21 127.3 33.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.984 -1.073 . . . . 0.0 109.478 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -100.71 133.33 21.26 Favored Pre-proline 0 N--CA 1.498 1.968 0 O-C-N 121.182 -0.949 . . . . 0.0 110.275 -178.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.2 Cg_exo -51.02 152.11 10.79 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 119.923 1.008 . . . . 0.0 112.667 179.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.91 15.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.424 -0.798 . . . . 0.0 110.05 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.469 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.2 p -50.04 -26.13 4.06 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 110.465 -178.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.5 ptm -107.82 -2.9 19.52 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.033 -1.042 . . . . 0.0 110.923 -178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.28 148.06 28.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.27 172.3 15.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.909 . . . . 0.0 109.524 179.75 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.82 -76.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.167 -0.958 . . . . 0.0 111.572 -177.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.55 171.59 37.01 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.2 mt -92.57 146.33 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.52 -0.988 . . . . 0.0 109.627 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.14 147.05 30.24 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.408 ' HG1' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -134.8 159.46 41.28 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.104 -0.997 . . . . 0.0 109.093 179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.5 163.7 37.79 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.586 -0.697 . . . . 0.0 109.836 -178.813 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.39 138.25 57.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.405 -0.809 . . . . 0.0 109.602 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.56 132.39 49.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.499 -0.75 . . . . 0.0 109.94 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -68.27 -172.41 0.32 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.24 144.73 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.505 -0.747 . . . . 0.0 109.976 -179.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 p -82.88 99.27 9.64 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -103.36 120.56 41.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.472 -0.767 . . . . 0.0 109.754 -178.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -127.86 -9.43 5.49 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.544 -0.723 . . . . 0.0 109.413 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.03 149.57 39.58 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.738 -1.226 . . . . 0.0 110.163 -179.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.06 -50.23 74.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -1.128 . . . . 0.0 109.132 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -151.69 -91.17 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 108.864 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -146.6 150.63 35.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.93 . . . . 0.0 109.515 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.132 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.431 ' H8 ' " O5'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.374 3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.48 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.402 0 C3'-C2'-C1' 107.105 3.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.612 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 112.319 5.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.544 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.552 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . 0.408 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.199 4.248 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.489 " O4'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 112.026 5.282 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.723 0 C3'-C2'-C1' 106.951 3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.255 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.839 5.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.208 4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.684 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.383 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.523 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.227 4.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.523 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.735 4.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.233 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.516 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.496 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.453 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.53 1 O4'-C1'-N19 111.26 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.577 ' C7 ' ' HG1' ' A' ' 16' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.299 4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.48 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.251 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.188 2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.044 4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.58 -40.47 97.04 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.18 122.68 5.46 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.554 -0.716 . . . . 0.0 111.383 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 -10.39 64.67 Favored Glycine 0 N--CA 1.496 2.669 0 O-C-N 121.203 -0.936 . . . . 0.0 110.976 178.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.54 117.61 9.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.311 . . . . 0.0 110.199 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.49 140.93 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.7 t -62.75 118.57 7.88 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.563 -1.335 . . . . 0.0 109.879 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 m -61.66 -40.01 93.42 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.465 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.46 -39.57 58.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.134 -178.116 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -128.66 8.13 5.8 Favored 'General case' 0 N--CA 1.512 2.659 0 CA-C-N 120.32 1.418 . . . . 0.0 112.762 -178.063 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' CYS . 41.6 tt0 63.63 -1.28 0.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.561 -1.337 . . . . 0.0 113.544 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -61.48 143.99 54.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.549 -1.969 . . . . 0.0 108.651 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.7 p -108.42 -5.84 16.47 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -101.85 119.54 38.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -146.44 150.61 35.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.056 -1.028 . . . . 0.0 110.235 -179.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.577 ' HG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 34.8 p -78.66 -38.98 38.16 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.262 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.612 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.4 tp -143.75 131.41 21.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.038 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -81.75 128.85 34.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.889 -1.132 . . . . 0.0 109.014 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.755 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.4 mmt180 -111.62 178.33 4.36 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.266 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -130.83 140.11 50.22 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 159.4 39.33 Favored Pre-proline 0 N--CA 1.502 2.146 0 O-C-N 120.753 -1.217 . . . . 0.0 109.449 -179.4 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.0 -20.29 6.96 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.654 1.569 . . . . 0.0 113.633 -179.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -96.48 -5.92 38.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.839 -1.163 . . . . 0.0 109.885 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.44 17.04 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.32 114.92 65.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.22 -1.165 . . . . 0.0 109.911 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -49.88 134.84 35.63 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 CA-C-N 120.036 1.049 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.07 158.01 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -83.16 160.09 21.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.919 -1.113 . . . . 0.0 110.675 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.755 ' ND2' HH21 ' A' ' 19' ' ' ARG . 48.2 t-20 -44.48 -49.99 9.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.858 -0.526 . . . . 0.0 111.829 -178.433 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.75 70.14 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -59.97 -41.18 91.39 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.6 -1.313 . . . . 0.0 110.136 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.17 65.59 Favored Glycine 0 N--CA 1.487 2.054 0 C-N-CA 118.944 -1.598 . . . . 0.0 109.888 -178.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.41 -48.94 68.44 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 109.859 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -60.06 -43.0 95.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.338 -179.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -67.26 -49.1 65.69 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.532 -0.73 . . . . 0.0 109.797 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.98 -40.41 89.01 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.21 -1.556 . . . . 0.0 109.982 -179.525 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.11 -40.38 71.52 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 111.483 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -118.59 3.84 11.72 Favored 'General case' 0 N--CA 1.512 2.632 0 O-C-N 120.868 -1.145 . . . . 0.0 112.049 -178.121 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 15.9 pt20 35.05 40.12 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.724 -1.235 . . . . 0.0 113.552 179.314 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.12 155.09 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 28.8 p-10 -81.95 128.07 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.101 -1.0 . . . . 0.0 110.468 -178.571 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' NH1' ' OP1' ' C' ' 123' ' ' ' DT' . 16.3 ptt180 -89.48 150.99 45.54 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.347 -0.846 . . . . 0.0 109.771 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 45' ' ' THR . 18.8 Cg_endo -68.25 149.9 76.19 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 120.677 0.918 . . . . 0.0 111.024 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.65 5.78 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.861 -1.149 . . . . 0.0 110.611 -179.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 43' ' ' PRO . 5.0 t -60.83 -14.93 24.94 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.678 -1.264 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 71.5 mmm -99.83 -5.79 27.93 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.277 -0.89 . . . . 0.0 109.666 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' NH1' ' HG2' ' A' ' 47' ' ' ARG . 40.5 ttt-85 -80.25 127.21 32.08 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 110.262 -178.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 43.6 mmtm -122.38 140.34 52.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.308 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' LYS . 26.2 t70 -41.21 -87.01 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.18 -0.95 . . . . 0.0 110.655 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.97 -173.9 25.65 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.22 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.33 138.65 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 121.296 -1.12 . . . . 0.0 108.944 178.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -74.98 150.59 38.96 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.32 47.13 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.802 -1.186 . . . . 0.0 109.77 -179.474 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' NH2' " O4'" ' B' ' 112' ' ' ' DA' . 12.8 mtp180 -150.21 167.0 28.18 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.16 143.69 32.32 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.931 0.872 . . . . 0.0 109.998 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 56' ' ' ARG . 17.1 mmt-85 -62.41 125.61 24.51 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.464 0.649 . . . . 0.0 112.223 -177.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 29.6 ttpt -49.19 169.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 61.2 t -54.07 140.02 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.88 -1.137 . . . . 0.0 109.263 -179.419 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.3 p -79.18 57.05 2.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.019 -1.05 . . . . 0.0 109.088 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.0 m -66.43 135.39 54.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.417 -0.802 . . . . 0.0 109.987 -179.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -150.92 143.42 24.33 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.96 -170.35 17.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -147.72 160.38 42.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.041 -1.27 . . . . 0.0 110.468 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -124.91 145.23 49.93 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -69.94 141.34 53.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.096 -1.003 . . . . 0.0 108.786 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 120.679 -1.263 . . . . 0.0 109.239 179.585 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.124 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 1 O4'-C1'-N19 111.77 4.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 O4'-C1'-N19 111.849 5.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.564 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.231 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.163 1 O4'-C1'-N19 112.77 6.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.544 ' C2 ' ' N2 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.051 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.427 ' O4 ' ' N1 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.129 4.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.809 1 O4'-C1'-N19 111.911 5.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.429 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.921 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.529 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.194 0 O4'-C4'-C3' 108.725 3.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.523 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.035 1 O4'-C1'-N19 111.444 4.555 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 030 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.565 1 O4'-C1'-N19 111.746 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.569 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 0 O4'-C1'-N19 110.522 3.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.523 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.58 3.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.981 1 O4'-C1'-N19 111.829 5.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.429 ' O6 ' ' N6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.89 5.113 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.405 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.493 1 O4'-C1'-N19 111.396 4.495 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 1 O4'-C1'-N19 111.567 4.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.134 1 O4'-C1'-N19 111.212 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.427 ' N1 ' ' O4 ' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.643 0 O5'-C5'-C4' 114.529 3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.482 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.822 5.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.409 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.299 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.564 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.739 3.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.002 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.743 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 1 O4'-C1'-N19 111.253 4.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.3 pttt . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 121.758 0.789 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' NH1' ' CG ' ' A' ' 2' ' ' ARG . 5.1 mtt-85 -65.73 -40.15 91.87 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.093 -1.004 . . . . 0.0 108.932 178.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.94 118.56 2.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.867 -0.521 . . . . 0.0 111.424 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.92 -9.07 70.32 Favored Glycine 0 N--CA 1.506 3.338 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.23 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -63.16 120.47 11.55 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.753 -1.439 . . . . 0.0 110.077 -178.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.2 142.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.6 t -68.34 117.87 10.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.827 -1.17 . . . . 0.0 110.276 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -59.99 -40.34 88.86 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.285 -0.884 . . . . 0.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.79 -39.43 56.96 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.426 -1.421 . . . . 0.0 112.457 -178.239 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.7 p -128.47 12.36 6.43 Favored 'General case' 0 N--CA 1.515 2.791 0 CA-C-N 120.739 1.608 . . . . 0.0 112.546 -178.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.9 mt-30 57.05 2.99 0.12 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.512 -1.367 . . . . 0.0 114.225 176.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.51 ' CA ' ' HE ' ' A' ' 47' ' ' ARG . 11.9 t -64.65 147.29 53.27 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.346 -1.471 . . . . 0.0 107.823 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.5 p -107.68 -7.69 16.34 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.097 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 p -99.26 119.27 37.63 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -145.43 150.17 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.127 -0.983 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.421 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 19.3 p -78.31 -40.51 36.53 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.205 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 9.5 tp -144.69 128.45 17.27 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.308 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -75.99 130.01 37.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.828 -1.17 . . . . 0.0 109.298 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 19' ' ' ARG . 1.2 mmt-85 -117.88 127.17 53.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 -179.03 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 20' ' ' ARG . 30.1 mmt-85 -77.82 142.46 38.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 119.778 -1.826 . . . . 0.0 106.948 178.236 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.91 156.23 44.56 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.154 -0.967 . . . . 0.0 108.46 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -51.0 -19.79 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 120.853 1.035 . . . . 0.0 113.005 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.0 tpt -92.03 -17.91 24.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 109.795 -179.103 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.43 26.58 8.6 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.92 111.71 60.55 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.51 -0.994 . . . . 0.0 108.689 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.75 129.18 20.12 Favored 'Trans proline' 0 N--CA 1.486 1.081 0 CA-C-N 119.867 0.988 . . . . 0.0 112.615 -179.174 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.5 158.74 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.56 155.55 25.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 46.5 t-20 -49.89 -35.73 24.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.142 -0.974 . . . . 0.0 111.439 -177.325 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.4 13.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.852 -1.155 . . . . 0.0 111.094 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -55.42 -40.35 71.36 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.44 -1.412 . . . . 0.0 110.635 -179.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.35 68.76 Favored Glycine 0 C--N 1.288 -2.111 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.765 -177.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.96 -51.43 58.6 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.2 -1.176 . . . . 0.0 110.956 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 62.6 t80 -60.57 -43.53 97.22 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.583 -1.323 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.641 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.2 t80 -61.61 -44.3 97.25 Favored 'General case' 0 C--O 1.2 -1.541 0 CA-C-O 121.552 0.691 . . . . 0.0 109.522 -178.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HZ3' ' CD1' ' A' ' 37' ' ' LEU . 17.0 ttpp -60.1 -42.33 94.44 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.13 -1.607 . . . . 0.0 109.637 179.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' CD1' ' HZ3' ' A' ' 36' ' ' LYS . 8.2 mp -70.31 -45.59 65.96 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.026 -1.046 . . . . 0.0 111.512 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 77.5 m-70 -115.21 0.32 13.5 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 120.938 -1.102 . . . . 0.0 112.637 -177.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.7 pt20 35.63 49.23 0.51 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.599 -1.313 . . . . 0.0 112.633 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.05 154.07 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.999 -1.063 . . . . 0.0 108.212 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -84.46 125.86 32.74 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 109.06 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.42 150.32 42.6 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.472 -0.767 . . . . 0.0 110.354 -178.899 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -62.34 149.6 90.18 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.309 1.34 . . . . 0.0 112.858 179.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 46' ' ' MET . 15.1 mt -66.9 -8.36 28.64 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.326 -0.859 . . . . 0.0 109.809 -179.684 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -58.14 -9.96 1.69 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.742 -1.224 . . . . 0.0 108.086 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.418 ' H ' ' C ' ' A' ' 44' ' ' LEU . 16.4 ttt -101.26 -8.86 21.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' HE ' ' CA ' ' A' ' 12' ' ' THR . 34.3 ttt-85 -83.14 139.62 33.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.74 -179.416 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -134.28 159.55 40.63 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -66.57 -73.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.034 -1.041 . . . . 0.0 111.017 -178.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.28 172.29 41.67 Favored Glycine 0 N--CA 1.496 2.635 0 C-N-CA 119.688 -1.244 . . . . 0.0 111.228 -178.507 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -91.96 140.8 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.564 -0.962 . . . . 0.0 109.164 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -80.26 152.13 29.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 109.281 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.5 159.77 41.03 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 122.296 1.046 . . . . 0.0 109.768 -179.568 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 3.4 mmp_? -141.01 172.94 11.98 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -62.06 136.51 57.98 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.022 -1.049 . . . . 0.0 108.241 179.263 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.499 HH11 ' HG2' ' A' ' 56' ' ' ARG . 2.1 mmt-85 -59.76 128.08 35.15 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.882 0.848 . . . . 0.0 112.146 -177.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 24.8 ttpt -48.18 163.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.043 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 3.9 m -51.53 129.44 10.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.613 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -82.58 111.97 19.05 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.051 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -108.44 111.17 22.93 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.88 0.848 . . . . 0.0 109.147 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 60.3 mttp -142.43 155.67 45.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.639 -0.663 . . . . 0.0 109.308 -179.345 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.41 60.16 0.44 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 68.7 mttm -53.59 -89.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.112 -1.228 . . . . 0.0 110.605 -178.723 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -132.43 156.61 46.39 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.726 -0.609 . . . . 0.0 109.753 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -62.25 148.29 45.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.123 -0.986 . . . . 0.0 108.95 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 66' ' ' ARG . 13.6 mmt-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.698 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.478 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C1'-N19 110.409 3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.541 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.45 2.332 1 O4'-C1'-N19 112.504 5.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.476 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.149 1 O4'-C1'-N19 111.249 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.497 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.346 4.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.425 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.565 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.49 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.531 1 O4'-C1'-N19 111.735 4.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.033 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.646 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.49 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.567 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.437 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.874 5.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.757 1 O4'-C1'-N19 111.811 5.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.56 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.43 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.476 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.544 4.098 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 031 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.462 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 112.874 6.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.436 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.036 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.438 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.737 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.752 4.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.8 -1.43 37.64 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.418 -0.801 . . . . 0.0 109.219 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.87 116.64 16.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.027 -1.045 . . . . 0.0 111.179 -178.678 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 -11.26 48.31 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 178.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 111.71 8.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.032 -1.276 . . . . 0.0 111.24 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.32 140.15 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 120.0 9.27 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.637 -1.289 . . . . 0.0 110.054 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 m -60.02 -40.06 88.03 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.591 -0.693 . . . . 0.0 110.123 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -77.66 -38.91 46.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.851 -1.156 . . . . 0.0 112.515 -178.058 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 p -130.86 12.75 5.27 Favored 'General case' 0 N--CA 1.514 2.767 0 CA-C-N 120.528 1.513 . . . . 0.0 112.804 -178.045 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 58.81 0.03 0.14 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.827 -1.171 . . . . 0.0 113.924 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 t -60.49 144.31 51.56 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 119.742 -1.849 . . . . 0.0 108.325 179.314 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -106.64 -8.86 16.75 Favored 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -99.9 119.98 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.068 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 p -144.01 147.38 33.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 109.222 -179.387 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 p -77.01 -39.66 49.47 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.495 -1.282 . . . . 0.0 107.692 178.657 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.541 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.7 tp -141.53 130.36 23.0 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.132 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -79.8 130.29 35.2 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.669 -1.269 . . . . 0.0 109.574 -179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.675 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.7 mmt180 -112.86 177.5 4.61 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.735 . . . . 0.0 109.715 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -130.74 140.94 50.36 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 158.68 37.04 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.27 -0.894 . . . . 0.0 109.895 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -53.52 -16.88 8.4 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.228 1.285 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.7 ttm -93.79 -15.06 25.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.245 -0.91 . . . . 0.0 109.556 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 28.98 9.1 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -107.63 114.18 60.74 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.992 . . . . 0.0 109.122 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.95 141.84 16.27 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.08 1.064 . . . . 0.0 112.979 -179.768 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -144.1 159.28 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.24 -0.912 . . . . 0.0 109.975 179.185 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.57 157.38 22.34 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 110.557 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.675 ' ND2' HH21 ' A' ' 19' ' ' ARG . 41.0 t-20 -47.3 -35.29 7.73 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.57 -0.707 . . . . 0.0 112.522 -177.132 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.86 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.457 -1.402 . . . . 0.0 110.968 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 34.2 m -59.16 -43.67 92.11 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.572 -1.33 . . . . 0.0 110.072 -179.288 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.62 65.66 Favored Glycine 0 C--N 1.291 -1.933 0 C-N-CA 118.929 -1.605 . . . . 0.0 109.872 -178.363 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.68 -50.05 66.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.137 -1.213 . . . . 0.0 109.977 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 38.9 t80 -60.02 -46.36 89.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.664 -1.272 . . . . 0.0 110.117 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.6 t80 -64.51 -45.65 86.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.386 -0.821 . . . . 0.0 110.742 -178.438 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.15 -40.27 89.27 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.151 -1.593 . . . . 0.0 109.788 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.93 -39.49 66.21 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.235 -0.915 . . . . 0.0 111.72 -179.308 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.56 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 80.8 m-70 -118.97 -1.08 11.04 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.916 -1.115 . . . . 0.0 112.338 -177.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.5 pt20 34.66 46.71 0.2 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.865 -1.147 . . . . 0.0 113.699 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -140.01 151.85 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -81.13 117.74 21.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.142 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' CG ' HH11 ' A' ' 42' ' ' ARG . 2.7 ttt-85 -93.06 135.22 26.08 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.488 -0.758 . . . . 0.0 109.488 -179.311 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -43.73 151.51 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 120.846 1.031 . . . . 0.0 113.091 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 46' ' ' MET . 6.7 mp -67.79 -16.06 63.93 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.489 -0.757 . . . . 0.0 110.718 -178.665 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.0 p -50.62 -10.04 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.237 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.54 ' H ' ' C ' ' A' ' 44' ' ' LEU . 10.9 tpt -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 1.1 mpt_? -81.97 157.02 24.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.234 -0.916 . . . . 0.0 111.402 -178.71 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -112.59 -156.75 0.6 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.079 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -92.51 2.64 56.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.88 -1.138 . . . . 0.0 109.926 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.33 -178.43 29.57 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 178.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mt -82.77 139.32 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.852 -1.381 . . . . 0.0 107.378 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.98 146.94 30.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.853 -1.154 . . . . 0.0 109.997 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.97 160.56 39.46 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.017 -1.052 . . . . 0.0 109.606 -179.55 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.587 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.51 161.8 41.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.272 0.558 . . . . 0.0 109.54 -179.385 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.62 136.46 38.92 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.232 -0.917 . . . . 0.0 108.591 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 90.4 mtt180 -69.78 139.73 53.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.672 -178.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -63.68 -169.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.852 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.22 130.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 -179.407 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.6 p -70.0 149.73 47.4 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.356 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -147.97 132.89 18.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 109.279 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -151.59 -33.24 0.15 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.0 110.17 -179.698 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.18 53.62 0.18 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -59.97 -39.97 87.5 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.406 -1.055 . . . . 0.0 109.203 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -78.85 129.39 34.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.023 -1.048 . . . . 0.0 108.802 179.363 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.2 mtt-85 -106.19 130.84 53.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.502 -0.749 . . . . 0.0 109.256 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.099 -1.001 . . . . 0.0 109.126 179.581 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.518 1 O4'-C1'-N19 111.312 4.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.833 3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.546 ' P ' HH11 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.473 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.37 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.5 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.164 1 O4'-C1'-N19 112.51 5.887 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.421 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.328 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.407 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 1 O4'-C1'-N19 111.212 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.821 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.388 1 O4'-C1'-N19 112.62 6.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.534 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.399 0 C3'-C2'-C1' 107.116 3.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.673 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.378 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 1 O4'-C1'-N19 111.467 4.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 113.276 6.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 112.557 5.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.405 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 1 O4'-C1'-N19 111.502 4.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.421 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.438 1 O4'-C1'-N19 111.939 5.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.503 ' OP1' ' NE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.375 0 C3'-C2'-C1' 107.211 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 111.532 4.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.473 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.88 3.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.432 4.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.515 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 5' ' ' THR . 92.6 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.546 HH11 ' P ' ' B' ' 105' ' ' ' DC' . 0.1 OUTLIER -90.79 -3.23 57.57 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.68 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 112.6 12.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 109.896 -179.515 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -9.98 70.05 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 7.2 m -70.46 118.9 13.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.887 -1.361 . . . . 0.0 110.539 -178.761 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' NE2' ' A' ' 11' ' ' GLN . 32.5 m -120.62 142.96 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 10' ' ' CYS . 10.8 t -78.95 126.97 31.39 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.575 -1.328 . . . . 0.0 109.533 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -177.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -78.52 -38.97 39.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.061 -1.649 . . . . 0.0 109.086 -179.17 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.826 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.3 p -131.47 88.08 2.54 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.784 1.278 . . . . 0.0 108.393 179.056 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' NE2' ' CG2' ' A' ' 6' ' ' VAL . 37.9 tp60 -37.1 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.812 0 CA-C-N 113.486 -1.688 . . . . 0.0 114.503 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.826 ' N ' ' O ' ' A' ' 10' ' ' CYS . 8.8 t -73.66 174.33 8.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 119.959 -1.713 . . . . 0.0 109.524 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.9 p -129.32 6.24 5.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.391 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.504 ' H ' ' HG1' ' A' ' 12' ' ' THR . 32.1 p -115.66 124.79 51.79 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.448 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 p -148.96 151.09 33.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.211 -0.931 . . . . 0.0 109.639 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -80.04 -39.29 30.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.402 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.5 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.0 tp -144.44 130.23 19.23 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -82.48 127.54 33.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 108.946 179.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 19' ' ' ARG . 2.0 mmt-85 -114.0 119.54 37.55 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.39 -0.819 . . . . 0.0 110.847 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -71.43 141.44 50.28 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.52 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -90.75 154.49 45.73 Favored Pre-proline 0 N--CA 1.504 2.271 0 O-C-N 120.719 -1.238 . . . . 0.0 109.757 -179.179 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -47.98 -25.93 6.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.028 1.152 . . . . 0.0 112.422 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.2 mtt -90.26 -15.19 31.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.546 -0.721 . . . . 0.0 109.596 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.84 18.72 21.88 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.18 113.18 60.91 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.186 -1.185 . . . . 0.0 109.658 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -49.89 130.34 26.9 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 CA-C-N 120.013 1.04 . . . . 0.0 113.294 179.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.17 153.12 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.338 -0.851 . . . . 0.0 108.959 177.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -78.14 165.63 23.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -54.94 -41.63 71.29 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 111.38 -177.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.15 -59.7 4.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.746 -1.221 . . . . 0.0 111.118 -178.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -60.09 -39.97 87.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.576 -178.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -50.03 64.62 Favored Glycine 0 N--CA 1.485 1.948 0 C-N-CA 119.164 -1.493 . . . . 0.0 109.748 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.41 -51.41 60.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.276 -1.132 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 22.6 t80 -60.29 -44.69 95.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.001 -1.062 . . . . 0.0 109.803 -179.54 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.3 t80 -60.05 -43.56 95.3 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.284 -179.041 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -60.11 -45.25 93.58 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.119 -1.613 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.05 -42.46 69.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.105 -0.997 . . . . 0.0 111.781 -178.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -111.89 -9.91 14.02 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.995 -1.065 . . . . 0.0 112.185 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 39.57 47.79 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.536 -1.353 . . . . 0.0 113.296 179.43 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.02 151.54 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 176.212 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 38.1 p-10 -85.68 130.02 34.67 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.783 -1.198 . . . . 0.0 110.184 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.57 150.05 39.1 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.331 -0.855 . . . . 0.0 109.894 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.542 ' C ' ' H ' ' A' ' 45' ' ' THR . 6.0 Cg_endo -60.4 152.95 63.69 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.304 1.336 . . . . 0.0 112.947 179.257 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.98 7.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.524 -0.735 . . . . 0.0 109.97 179.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.9 p -64.81 -12.84 52.45 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.128 -0.982 . . . . 0.0 109.262 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -97.59 -21.48 17.04 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.204 -0.935 . . . . 0.0 109.06 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.09 145.71 29.1 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -131.01 151.55 51.29 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.295 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.4 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.026 -1.046 . . . . 0.0 109.88 -179.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.78 -176.75 17.31 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mt -91.57 141.92 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.225 -1.162 . . . . 0.0 109.724 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.97 151.94 31.32 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.64 157.64 45.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.264 -0.897 . . . . 0.0 110.323 -179.125 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 2.1 mmt180 -145.42 171.19 14.98 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.225 179.458 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.06 136.07 57.91 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.503 ' NE ' ' OP1' ' C' ' 126' ' ' ' DC' . 39.7 ttm180 -60.01 129.03 39.75 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 110.264 -178.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 19.8 ttmt -44.99 161.92 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.57 -0.706 . . . . 0.0 109.112 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 60' ' ' SER . 15.7 m -51.31 140.04 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.979 -1.075 . . . . 0.0 109.595 -179.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.3 p -86.47 30.95 0.68 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 58' ' ' VAL . 33.7 t -50.79 -32.49 20.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.852 -0.53 . . . . 0.0 110.219 -179.502 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -66.06 -39.96 90.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.145 -0.972 . . . . 0.0 108.966 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.17 153.36 25.35 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -145.39 141.0 28.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -1.165 . . . . 0.0 108.866 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -81.61 -104.69 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.194 -0.941 . . . . 0.0 108.961 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' NH1' ' CG ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -151.39 126.49 9.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.934 -1.104 . . . . 0.0 109.597 -179.914 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.199 179.275 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.221 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.598 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 1 O4'-C1'-N19 111.798 4.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . 0.537 ' P ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.364 0 O4'-C1'-N19 110.758 3.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.437 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.557 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.299 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.557 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.205 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.598 1 O4'-C1'-N19 111.541 4.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.346 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.888 5.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 C3'-C2'-C1' 106.586 2.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.524 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.321 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.355 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.396 1 O4'-C1'-N19 111.458 4.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.437 " O5'" ' C8 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.1 0 O4'-C1'-N19 110.266 3.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.524 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.253 4.316 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 O4'-C1'-N19 110.864 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.437 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.865 1 O4'-C1'-N19 111.524 4.655 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.437 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.042 1 O4'-C1'-N19 111.625 4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . 0.415 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.379 1 O4'-C1'-N19 111.449 4.562 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.582 ' C7 ' ' HG1' ' A' ' 16' ' ' THR . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.943 5.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.111 0 C3'-C2'-C1' 107.223 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.357 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.358 0 O4'-C1'-N19 110.663 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.437 4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' OG1' ' A' ' 5' ' ' THR . 50.9 mtpt . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.537 ' NH1' ' P ' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -80.93 -12.84 59.33 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 109.206 179.362 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.17 110.68 4.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.273 -0.892 . . . . 0.0 110.612 -178.474 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.11 -6.45 83.5 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 178.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 3.3 m -68.27 112.37 5.13 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.982 -1.304 . . . . 0.0 110.8 -178.543 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.09 140.92 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 176.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.9 t -60.77 118.04 6.14 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 120.886 -1.134 . . . . 0.0 110.05 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.04 -40.0 87.85 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.115 -179.329 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.575 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 5.1 m120 -75.57 -39.53 58.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.771 -1.171 . . . . 0.0 112.363 -178.627 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -127.95 11.69 6.62 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.441 1.473 . . . . 0.0 113.003 -178.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.1 mt-30 56.79 -0.61 0.06 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.37 -1.456 . . . . 0.0 113.734 176.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.7 t -63.65 157.16 24.73 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 119.821 -1.799 . . . . 0.0 108.494 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -128.83 6.65 5.56 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 121.039 -1.038 . . . . 0.0 110.572 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 7.9 p -107.8 48.97 0.82 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.948 -1.095 . . . . 0.0 109.165 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 p -74.35 146.31 43.16 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 121.21 -0.931 . . . . 0.0 111.857 -176.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.582 ' HG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 34.9 p -72.93 -41.87 64.08 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.487 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 9.8 tp -142.67 131.52 22.86 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.844 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -79.63 126.98 31.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.074 -1.016 . . . . 0.0 109.9 -179.75 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.643 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.7 mmt180 -108.33 177.22 4.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.302 -0.874 . . . . 0.0 108.921 179.388 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -131.1 139.64 49.89 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.694 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -92.74 156.23 41.09 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 120.909 -1.119 . . . . 0.0 109.448 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.08 -14.62 1.51 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.25 1.3 . . . . 0.0 112.597 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.8 OUTLIER -94.92 -11.59 28.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 109.948 -179.658 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.38 31.1 9.9 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -108.52 114.45 59.02 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.513 -0.993 . . . . 0.0 109.293 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -50.57 140.6 35.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 CA-C-N 120.192 1.104 . . . . 0.0 112.944 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -143.54 159.44 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.48 -0.762 . . . . 0.0 109.96 178.562 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -84.14 156.78 21.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.074 -1.016 . . . . 0.0 109.575 179.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.643 ' ND2' HH21 ' A' ' 19' ' ' ARG . 47.6 t-20 -45.25 -40.44 7.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 111.812 -178.399 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.2 39.21 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.855 -1.153 . . . . 0.0 111.475 -178.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.9 m -56.71 -39.06 73.2 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 110.57 -178.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.85 -49.23 80.1 Favored Glycine 0 N--CA 1.487 2.092 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.035 -178.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 mt -69.5 -47.47 63.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.199 -1.177 . . . . 0.0 110.296 -179.314 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 29.7 t80 -60.04 -40.04 87.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.769 -1.207 . . . . 0.0 109.132 -179.659 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 39' ' ' GLN . 57.3 t80 -59.95 -44.68 94.26 Favored 'General case' 0 C--O 1.199 -1.593 0 O-C-N 121.531 -0.731 . . . . 0.0 110.02 -178.766 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -56.27 -47.12 79.21 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 120.139 -1.601 . . . . 0.0 110.159 -179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 7.8 mp -71.95 -35.89 69.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.4 -1.437 . . . . 0.0 109.618 178.735 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.972 ' O ' ' N ' ' A' ' 40' ' ' VAL . 62.2 m-70 -112.24 42.79 1.72 Allowed 'General case' 0 C--O 1.192 -1.967 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 35' ' ' TYR . 50.5 tt0 -31.3 59.28 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 CA-C-O 122.156 0.979 . . . . 0.0 110.66 -179.216 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.972 ' N ' ' O ' ' A' ' 38' ' ' HIS . 22.8 m -160.45 174.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.688 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 30.2 p-10 -80.23 128.63 33.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 108.338 178.665 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.782 ' H ' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -97.81 154.65 37.76 Favored Pre-proline 0 N--CA 1.503 2.176 0 O-C-N 121.167 -0.958 . . . . 0.0 112.006 -177.495 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 45' ' ' THR . 29.0 Cg_endo -70.42 150.6 64.46 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.355 1.37 . . . . 0.0 111.551 178.577 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.36 15.55 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.356 -0.84 . . . . 0.0 110.881 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.0 p -66.35 -18.63 65.47 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.813 -1.179 . . . . 0.0 109.551 179.548 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -99.07 -2.51 36.92 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.149 -0.97 . . . . 0.0 110.675 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -83.17 129.96 35.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.194 -0.941 . . . . 0.0 111.281 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -125.99 146.32 49.93 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.364 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.12 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.807 -1.183 . . . . 0.0 110.51 -178.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.22 -173.41 29.18 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 14' ' ' THR . 1.9 mt -91.69 135.53 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.303 -1.116 . . . . 0.0 110.256 -179.689 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.26 152.74 43.0 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.27 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.67 158.18 43.92 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.74 -1.225 . . . . 0.0 111.397 -178.581 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -150.93 170.01 20.37 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.949 179.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -54.8 135.62 47.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.07 130.27 46.18 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.371 -0.83 . . . . 0.0 111.398 -177.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 33.0 ttpt -48.42 156.22 0.44 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.64 -0.663 . . . . 0.0 109.284 178.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 57' ' ' LYS . 14.0 p -50.23 174.82 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.178 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.4 p -54.66 151.45 8.15 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 119.848 -1.783 . . . . 0.0 108.017 -179.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.6 p -49.71 -52.64 29.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.779 -1.201 . . . . 0.0 108.927 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -135.25 148.14 49.48 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.01 170.49 40.07 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.526 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -145.57 151.31 37.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -1.099 . . . . 0.0 109.704 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -126.68 -25.35 3.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.361 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -145.91 157.52 43.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.311 -0.868 . . . . 0.0 109.755 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.908 -1.044 . . . . 0.0 109.659 -179.66 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.579 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.694 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.242 0 C3'-C2'-C1' 106.827 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.17 0 O4'-C1'-N19 110.809 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.545 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 C3'-C2'-C1' 106.783 2.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.604 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 112.289 5.612 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.467 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.235 3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.591 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.26 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 0 O4'-C1'-N19 110.131 2.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 114' ' ' ' DA' . . . . . 0.451 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.82 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.306 1 O4'-C1'-N19 111.221 4.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . 0.627 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.36 3.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.451 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.375 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 120' ' ' ' DG' . . . . . 0.54 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 112.15 5.437 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.54 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.73 4.913 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 1 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 123' ' ' ' DT' . . . . . 0.472 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.396 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.677 0 O4'-C1'-N19 110.757 3.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.467 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 112.684 6.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.005 0 C3'-C2'-C1' 107.509 3.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 128' ' ' ' DG' . . . . . 0.545 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.682 3.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.246 4.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.373 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 64.0 mttp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 120.874 0.369 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.545 HH22 ' NH1' ' A' ' 20' ' ' ARG . 3.1 mmp_? -100.0 12.06 37.77 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.15 110.25 17.19 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.403 0.62 . . . . 0.0 110.186 -179.782 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 0.5 75.86 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.419 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -66.79 119.49 11.92 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.709 -1.465 . . . . 0.0 110.896 -178.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.11 141.84 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.007 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.0 t -62.58 115.36 4.2 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.528 -1.357 . . . . 0.0 110.729 -179.509 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -60.05 -40.03 88.0 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 109.489 179.443 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -75.29 -39.52 59.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.871 -1.143 . . . . 0.0 112.581 -178.191 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 p -128.26 11.43 6.42 Favored 'General case' 0 N--CA 1.509 2.502 0 CA-C-N 120.392 1.451 . . . . 0.0 112.238 -178.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.522 ' N ' ' O ' ' A' ' 7' ' ' CYS . 78.5 mt-30 61.42 2.59 0.67 Allowed 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.535 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -64.41 160.03 20.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 119.632 -1.918 . . . . 0.0 109.369 -179.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -133.6 11.49 4.07 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.103 -0.998 . . . . 0.0 108.99 178.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 19.5 p -114.39 48.22 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -76.06 148.99 37.57 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 121.053 -1.029 . . . . 0.0 111.35 -176.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -79.55 -37.82 35.59 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 177.522 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 6.6 tp -144.48 132.15 21.16 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.508 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -84.49 127.59 34.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.731 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.4 mmt180 -114.18 119.04 35.73 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.465 -0.772 . . . . 0.0 109.755 -179.27 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.545 ' NH1' HH22 ' A' ' 2' ' ' ARG . 0.7 OUTLIER -70.39 143.2 51.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 119.843 -1.785 . . . . 0.0 107.432 177.561 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 156.25 40.85 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 120.934 -1.104 . . . . 0.0 110.097 -179.297 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.81 -23.38 8.46 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.591 1.528 . . . . 0.0 113.09 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.1 ttt -94.47 -15.33 24.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.067 -1.02 . . . . 0.0 109.869 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 22.69 9.9 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.406 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -100.31 114.07 65.6 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.364 . . . . 0.0 109.76 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -52.59 130.94 38.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 CA-C-N 120.159 1.092 . . . . 0.0 112.324 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.76 160.87 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.445 -0.784 . . . . 0.0 109.67 178.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -82.74 160.29 22.36 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.205 -0.934 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.731 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.3 t-20 -47.42 -41.77 20.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.744 -0.598 . . . . 0.0 112.218 -177.694 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.39 29.48 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.709 -1.244 . . . . 0.0 110.681 -178.177 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' NE ' ' A' ' 42' ' ' ARG . 55.9 m -56.03 -52.69 63.34 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.648 -1.283 . . . . 0.0 108.919 179.608 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.36 -59.92 2.5 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.76 -50.86 71.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -1.038 . . . . 0.0 111.974 -178.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 38.8 t80 -59.94 -37.1 78.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.786 -1.196 . . . . 0.0 109.698 -179.407 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' GLN . 30.8 t80 -59.49 -49.48 77.64 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.26 0.552 . . . . 0.0 110.335 -178.415 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.71 86.9 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.632 -1.293 . . . . 0.0 109.976 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 37' ' ' LEU . 8.4 mp -59.09 -45.97 89.48 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 108.623 -178.586 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 46.5 m-70 -108.97 -72.46 0.72 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.183 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 51.1 tt0 114.59 61.14 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 CA-C-O 122.115 0.96 . . . . 0.0 108.514 -179.106 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.56 162.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.9 p30 -81.52 133.86 35.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.015 -1.053 . . . . 0.0 108.796 179.168 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NE ' ' SG ' ' A' ' 31' ' ' CYS . 24.4 ptt180 -92.54 150.08 39.24 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 120.834 -1.166 . . . . 0.0 109.4 -179.12 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.95 151.16 82.62 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 120.639 0.892 . . . . 0.0 111.827 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -68.04 0.37 3.65 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.318 -0.864 . . . . 0.0 110.483 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -61.18 -16.55 45.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.642 -1.286 . . . . 0.0 108.466 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 ttt -97.89 -0.95 44.04 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.254 -0.904 . . . . 0.0 109.865 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -80.16 129.95 34.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ASP . 53.9 tttm -123.38 138.36 54.62 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 2.1 p-10 -39.37 -90.86 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.51 -0.743 . . . . 0.0 110.95 -178.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -72.11 -174.08 21.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.328 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -91.36 144.45 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.176 -1.19 . . . . 0.0 109.279 179.241 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.47 152.65 28.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.568 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.629 ' HG1' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -139.21 160.93 38.64 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.927 -1.108 . . . . 0.0 109.784 -179.506 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.629 ' N ' ' HG1' ' A' ' 53' ' ' THR . 50.7 mtp180 -151.28 175.51 12.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.832 -0.543 . . . . 0.0 109.949 -179.061 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.03 137.31 58.24 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -68.15 135.23 51.79 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.907 0.861 . . . . 0.0 111.752 -178.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -50.09 149.71 2.69 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.74 -0.6 . . . . 0.0 110.049 179.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -45.02 156.23 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.352 -0.843 . . . . 0.0 108.733 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -89.44 151.87 21.78 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.767 -1.208 . . . . 0.0 109.767 -179.293 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -162.69 150.98 14.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.138 -0.976 . . . . 0.0 109.464 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -170.72 -50.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.827 -1.171 . . . . 0.0 110.94 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.38 88.15 1.01 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.87 -43.21 72.3 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.455 -1.027 . . . . 0.0 109.795 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -163.77 105.45 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.097 -1.002 . . . . 0.0 109.547 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -151.03 160.16 44.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.111 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.521 -179.982 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.246 0.546 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 -11.44 60.71 Favored Glycine 0 N--CA 1.495 2.588 0 O-C-N 121.284 -0.885 . . . . 0.0 111.636 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -63.25 119.14 9.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.5 -1.588 . . . . 0.0 109.485 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.7 141.74 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 11' ' ' GLN . 31.8 t -62.94 115.26 4.23 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.646 -1.284 . . . . 0.0 110.452 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -60.3 -39.98 88.88 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.74 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -74.99 -39.11 61.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.893 -1.13 . . . . 0.0 111.808 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 p -130.1 14.03 5.7 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.175 1.352 . . . . 0.0 112.738 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' CYS . 71.8 mt-30 57.21 1.16 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.583 -1.323 . . . . 0.0 114.0 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 7' ' ' CYS . 6.5 t -61.2 156.86 17.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 119.897 -1.752 . . . . 0.0 108.557 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -133.51 10.01 4.02 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.876 -1.14 . . . . 0.0 108.825 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 30.2 p -112.47 47.52 1.07 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.499 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -75.76 149.03 38.08 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.082 -1.011 . . . . 0.0 111.285 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.417 HG22 HG21 ' A' ' 51' ' ' ILE . 25.2 p -75.68 -39.39 57.62 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.634 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.8 tp -141.02 132.52 26.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 15' ' ' THR . 43.5 m95 -80.98 126.27 31.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.997 -1.064 . . . . 0.0 109.657 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.634 ' NH1' HD23 ' A' ' 17' ' ' LEU . 7.7 mmt-85 -110.49 177.9 4.54 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 18.0 tpt180 -130.56 141.93 50.47 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.9 160.08 38.85 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 120.986 -1.071 . . . . 0.0 109.475 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.51 -17.26 16.32 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.43 1.42 . . . . 0.0 112.479 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ttt -93.85 -12.02 29.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 109.88 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 94.52 21.81 25.78 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -99.01 115.05 65.99 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 0.0 108.822 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -49.97 139.08 34.31 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 CA-C-N 120.229 1.118 . . . . 0.0 112.544 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG11 ' ND2' ' A' ' 9' ' ' ASN . 2.3 m -140.77 159.64 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.3 -0.875 . . . . 0.0 110.418 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.06 155.06 24.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.198 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -49.43 -31.34 9.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.307 -0.87 . . . . 0.0 110.636 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.62 -53.81 12.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.749 -1.219 . . . . 0.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -58.87 -41.74 87.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.825 -1.172 . . . . 0.0 110.086 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.85 -49.52 70.32 Favored Glycine 0 C--N 1.292 -1.913 0 C-N-CA 118.927 -1.606 . . . . 0.0 110.185 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.87 -49.71 49.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 110.438 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.0 -45.83 91.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.921 -1.112 . . . . 0.0 109.466 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLN . 34.1 t80 -60.93 -47.59 85.7 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.563 0.697 . . . . 0.0 110.083 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -60.0 -40.37 88.95 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.271 -1.518 . . . . 0.0 109.919 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.5 -39.98 67.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 111.605 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -113.34 -12.46 13.02 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.848 -1.157 . . . . 0.0 111.801 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' TYR . 33.4 tt0 43.29 57.02 3.99 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.44 -1.413 . . . . 0.0 111.429 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.12 154.82 8.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.15 120.46 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.787 -1.195 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 31.4 ttp180 -89.92 139.52 27.54 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.802 -0.561 . . . . 0.0 109.722 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -60.05 152.45 65.13 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 120.619 0.879 . . . . 0.0 112.337 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.8 mp -69.22 -1.16 7.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.685 . . . . 0.0 110.77 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -60.97 -14.88 25.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.746 -1.222 . . . . 0.0 109.63 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.535 ' SD ' ' NH1' ' A' ' 42' ' ' ARG . 20.4 ttt -98.22 -0.57 43.87 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.134 -0.979 . . . . 0.0 109.36 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -77.01 136.91 38.72 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.66 -0.65 . . . . 0.0 109.358 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -123.44 133.27 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -46.27 -83.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.038 -1.039 . . . . 0.0 110.012 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.92 178.74 28.8 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -92.19 140.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.4 -1.059 . . . . 0.0 110.234 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -78.48 149.72 33.13 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 159.96 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 0.0 109.359 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -152.36 169.84 21.56 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -54.79 138.91 41.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' A' ' 56' ' ' ARG . 39.4 mtt-85 -62.17 130.46 45.53 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.286 -0.884 . . . . 0.0 111.884 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' VAL . 5.6 ttmt -52.29 148.99 5.88 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' LYS . 14.9 p . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.484 -0.76 . . . . 0.0 109.453 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.216 0.531 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -2.19 80.74 Favored Glycine 0 N--CA 1.499 2.892 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 m -70.61 114.46 8.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.784 -1.421 . . . . 0.0 110.861 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.37 140.97 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -58.61 119.49 7.15 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.883 -1.136 . . . . 0.0 111.416 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -60.05 -39.85 87.43 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.369 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -75.63 -38.87 58.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.756 -1.215 . . . . 0.0 111.997 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.7 p -130.97 13.61 5.24 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 120.368 1.44 . . . . 0.0 112.877 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 7' ' ' CYS . 26.9 mm100 57.16 4.56 0.2 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.281 -1.512 . . . . 0.0 113.849 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -67.24 158.0 32.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 119.98 -1.7 . . . . 0.0 108.656 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 m -130.43 6.43 4.84 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.194 -0.941 . . . . 0.0 109.432 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.3 p -106.05 48.22 0.85 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.247 -0.908 . . . . 0.0 109.256 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -77.55 147.69 35.61 Favored 'General case' 0 C--N 1.284 -2.266 0 O-C-N 121.161 -0.962 . . . . 0.0 111.836 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.3 p -77.63 -39.04 46.61 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.859 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.7 tp -143.95 132.64 22.42 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CZ3' HG21 ' A' ' 15' ' ' THR . 59.5 m95 -80.74 128.08 33.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.862 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.859 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.8 mmt180 -110.72 176.24 5.11 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.575 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' NH1' ' A' ' 20' ' ' ARG . 17.4 mmm-85 -131.0 139.71 50.03 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 160.09 34.72 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.336 -0.852 . . . . 0.0 109.449 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.57 -16.08 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.382 1.388 . . . . 0.0 112.295 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.8 mtm -95.2 -11.4 28.13 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.035 -1.041 . . . . 0.0 109.8 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.54 36.36 6.2 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -109.86 115.99 54.53 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 121.282 -1.128 . . . . 0.0 110.439 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -51.95 128.72 27.81 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.065 1.059 . . . . 0.0 111.989 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.7 m -133.68 159.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.631 -0.668 . . . . 0.0 109.84 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.87 160.98 22.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -0.932 . . . . 0.0 109.861 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -49.76 -34.65 19.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.686 -0.634 . . . . 0.0 111.955 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.31 -49.97 15.53 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.534 -1.354 . . . . 0.0 111.717 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.6 m -59.81 -42.31 93.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.493 -1.379 . . . . 0.0 110.053 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.24 77.1 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.83 -47.02 76.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.367 -1.078 . . . . 0.0 109.159 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.96 -47.27 86.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 108.856 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' GLN . 12.8 t80 -63.56 -48.9 75.57 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-O 121.387 0.613 . . . . 0.0 110.845 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.13 -41.22 92.19 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.177 -1.577 . . . . 0.0 110.745 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.39 -41.46 84.93 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.974 -1.079 . . . . 0.0 111.281 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' GLN . 87.5 m-70 -123.31 6.95 9.05 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.869 -1.144 . . . . 0.0 112.559 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.2 tt0 35.92 59.19 0.9 Allowed 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.697 -1.252 . . . . 0.0 112.305 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.57 151.75 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -86.56 129.73 34.76 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.045 -1.034 . . . . 0.0 109.845 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.556 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -94.39 129.17 37.7 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.143 -0.973 . . . . 0.0 109.238 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -47.37 151.79 2.7 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 CA-C-N 120.071 1.061 . . . . 0.0 112.85 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.6 mp -60.04 -9.94 3.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.619 -0.676 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.6 p -57.02 -13.11 2.46 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 120.7 -1.25 . . . . 0.0 109.248 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 ttt -96.63 -4.41 41.07 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.11 -0.994 . . . . 0.0 109.999 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -78.06 133.73 37.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.685 -0.635 . . . . 0.0 111.302 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' GLY . 31.4 mtmm -115.98 128.6 55.87 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.44 5.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.873 -1.142 . . . . 0.0 111.221 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -150.34 168.73 30.29 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 14' ' ' THR . 3.1 mt -90.02 137.8 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.269 . . . . 0.0 109.76 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.69 150.79 27.85 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.505 -0.747 . . . . 0.0 109.489 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.84 160.4 39.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 110.346 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -149.74 156.25 41.53 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.51 139.98 11.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.044 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -57.49 123.37 15.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 109.232 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -67.6 169.53 9.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.318 -0.864 . . . . 0.0 110.18 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.301 -1.501 0 O-C-N 121.527 -0.733 . . . . 0.0 109.842 -179.469 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.346 0.593 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 -10.9 55.99 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 m -63.28 120.64 11.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -1.23 . . . . 0.0 110.191 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.25 141.93 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 t -63.07 117.53 6.61 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.587 -1.321 . . . . 0.0 109.888 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PRO . 63.8 m -59.94 -40.13 87.88 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.441 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -73.33 -40.06 64.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 112.547 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.52 13.05 4.53 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.366 -1.459 . . . . 0.0 112.52 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.9 tt0 63.29 -0.92 0.59 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.759 -1.213 . . . . 0.0 113.584 176.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -63.1 148.35 48.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 119.622 -1.924 . . . . 0.0 108.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.5 p -108.92 -7.82 15.37 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 p -103.45 121.72 43.41 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.441 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.4 p -145.38 147.13 31.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 0.0 109.457 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 p -74.46 -40.58 61.81 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.798 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.1 tp -144.79 129.98 18.6 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CZ3' HG21 ' A' ' 15' ' ' THR . 88.8 m95 -81.42 130.13 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.798 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -113.09 113.85 25.99 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 21' ' ' SER . 16.1 tpt180 -78.78 82.33 5.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 119.973 -1.704 . . . . 0.0 108.297 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.4 156.88 0.03 OUTLIER Pre-proline 0 N--CA 1.505 2.291 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -54.19 -16.41 9.62 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.241 1.961 . . . . 0.0 114.2 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.4 mtt -94.14 -16.88 23.34 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.963 -1.086 . . . . 0.0 109.377 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 16.86 23.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.72 122.0 54.49 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.617 -1.52 . . . . 0.0 109.369 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 8' ' ' SER . 5.7 Cg_exo -57.59 134.26 62.03 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 CA-C-N 120.049 1.053 . . . . 0.0 112.949 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' ARG . 10.8 m -141.41 161.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 121.35 -0.843 . . . . 0.0 109.979 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.45 154.45 22.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.942 -1.099 . . . . 0.0 109.379 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.749 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.1 t-20 -44.76 -37.57 3.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.5 -0.75 . . . . 0.0 111.983 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -48.48 55.28 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.602 -1.311 . . . . 0.0 111.411 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' NH1' ' A' ' 42' ' ' ARG . 56.5 m -61.23 -41.7 97.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.87 -1.143 . . . . 0.0 110.885 -178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.67 56.74 Favored Glycine 0 N--CA 1.484 1.893 0 C-N-CA 118.903 -1.618 . . . . 0.0 109.752 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 68.8 mt -64.51 -47.28 79.48 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 109.771 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 24.1 t80 -59.96 -42.98 95.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.052 -1.03 . . . . 0.0 109.489 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 39' ' ' GLN . 16.8 t80 -68.82 -46.59 68.22 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.674 -0.642 . . . . 0.0 110.858 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.3 ttpm? -59.93 -41.21 91.31 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 119.942 -1.724 . . . . 0.0 110.386 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.05 -39.99 75.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.085 -1.009 . . . . 0.0 111.612 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -119.07 0.69 11.32 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.85 -1.156 . . . . 0.0 112.212 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.3 pt20 36.62 42.21 0.2 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.701 -1.25 . . . . 0.0 113.183 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.27 154.78 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.092 -1.005 . . . . 0.0 108.467 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -84.19 131.56 34.75 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.246 -0.909 . . . . 0.0 110.077 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.75 149.55 37.62 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.231 -0.918 . . . . 0.0 110.639 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.2 Cg_endo -62.9 153.25 74.39 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.372 1.381 . . . . 0.0 112.267 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.23 18.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.474 -0.766 . . . . 0.0 110.458 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 43' ' ' PRO . 14.0 t -64.16 -18.11 64.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.312 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.6 mtp -100.89 -7.36 23.55 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.3 -0.875 . . . . 0.0 109.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -81.24 130.79 35.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.387 -0.82 . . . . 0.0 110.503 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -131.36 150.07 52.29 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -41.55 -85.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 110.942 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.66 -172.54 32.56 Favored Glycine 0 N--CA 1.493 2.462 0 O-C-N 121.049 -1.032 . . . . 0.0 111.229 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -90.69 141.01 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.766 -0.843 . . . . 0.0 109.339 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -80.48 152.66 28.62 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.05 162.46 34.08 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.914 -1.116 . . . . 0.0 110.606 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -149.97 158.93 44.66 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.351 0.595 . . . . 0.0 109.945 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -56.11 139.75 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.388 -0.82 . . . . 0.0 109.223 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.9 127.01 29.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.351 -0.843 . . . . 0.0 110.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.12 160.68 20.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.709 -0.619 . . . . 0.0 109.426 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 110.08 -179.329 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.562 0.696 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.6 -10.84 58.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -68.1 114.84 6.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.725 -1.456 . . . . 0.0 110.326 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.62 142.42 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 43.7 t -63.97 119.05 9.36 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 120.79 -1.193 . . . . 0.0 110.395 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.6 m -60.59 -40.1 90.52 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.83 -0.543 . . . . 0.0 110.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -77.42 -38.68 49.18 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.066 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.7 p -128.59 13.57 6.47 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 120.291 1.405 . . . . 0.0 112.428 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 92.4 mt-30 56.04 0.06 0.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.695 -1.253 . . . . 0.0 113.537 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 12.3 t -63.68 154.18 33.83 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 119.993 -1.692 . . . . 0.0 108.471 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -127.96 3.07 5.94 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.288 -0.882 . . . . 0.0 108.774 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.0 p -100.34 49.17 0.91 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.565 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -78.92 144.47 34.84 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.315 -0.865 . . . . 0.0 111.54 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.9 p -77.49 -36.51 52.6 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.852 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.8 tp -141.94 130.9 23.09 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 15' ' ' THR . 45.0 m95 -80.86 125.24 29.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.678 -1.264 . . . . 0.0 109.242 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.852 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -117.2 129.34 55.87 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -82.5 148.06 28.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 119.987 -1.696 . . . . 0.0 106.854 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.73 157.04 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 120.963 -1.086 . . . . 0.0 109.582 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -50.29 -23.09 9.41 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.265 1.31 . . . . 0.0 112.104 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -90.72 -15.19 30.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.53 25.01 9.58 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.83 119.38 54.72 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.269 -1.136 . . . . 0.0 109.707 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -51.21 127.98 23.79 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 CA-C-N 120.154 1.091 . . . . 0.0 112.655 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.08 158.15 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.218 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -81.32 155.68 25.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.084 -1.01 . . . . 0.0 109.126 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 49.9 t-20 -49.93 -30.95 11.24 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.231 -0.918 . . . . 0.0 111.967 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.57 -50.19 16.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.253 -1.53 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.16 -40.54 81.66 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.603 -1.311 . . . . 0.0 109.618 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.92 69.37 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.163 -1.494 . . . . 0.0 110.229 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.18 -49.89 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.129 -1.218 . . . . 0.0 110.197 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.07 -42.19 94.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.856 -1.153 . . . . 0.0 109.602 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -69.52 -47.72 62.85 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 121.411 -0.806 . . . . 0.0 110.184 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.1 -42.37 94.53 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.954 -1.716 . . . . 0.0 110.026 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.12 -42.1 73.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.022 -1.049 . . . . 0.0 111.402 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' VAL . 76.1 m-70 -115.77 1.41 13.44 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 120.769 -1.207 . . . . 0.0 112.178 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 pm0 32.97 46.63 0.09 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.885 -1.134 . . . . 0.0 113.478 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 38' ' ' HIS . 11.3 m -140.88 150.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 108.683 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.19 139.41 31.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.743 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.24 150.03 62.55 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.135 -0.978 . . . . 0.0 109.258 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' C ' ' H ' ' A' ' 45' ' ' THR . 4.4 Cg_exo -51.71 150.47 16.88 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 120.783 0.989 . . . . 0.0 113.357 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.06 7.22 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.445 -0.784 . . . . 0.0 110.147 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.541 ' H ' ' C ' ' A' ' 43' ' ' PRO . 13.1 t -63.18 -12.24 26.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 108.631 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tpt -95.58 -11.95 26.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.197 -0.939 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' NH1' ' O ' ' A' ' 10' ' ' CYS . 70.4 ttt180 -81.05 130.82 35.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.74 -0.6 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 50' ' ' GLY . 19.4 mmmt -117.8 131.03 56.62 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.41 -0.806 . . . . 0.0 109.086 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -52.95 2.11 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.371 -0.83 . . . . 0.0 112.452 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.88 169.82 31.28 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 120.636 -1.29 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 14' ' ' THR . 33.3 mt -90.38 129.45 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -1.087 . . . . 0.0 108.811 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.32 151.29 28.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.502 -0.749 . . . . 0.0 109.356 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 167.85 20.45 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.583 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -152.71 163.0 40.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -54.19 135.84 43.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 108.906 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' A' ' 56' ' ' ARG . 5.8 tpt180 -56.24 121.23 9.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 109.717 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -64.77 -167.9 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 0.0 109.507 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.387 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.09 2.51 64.27 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -63.43 120.36 11.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.725 -1.456 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.95 141.87 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.0 t -64.44 117.15 6.89 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.468 -1.395 . . . . 0.0 110.3 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 m -59.91 -40.05 87.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.462 -0.774 . . . . 0.0 110.478 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.441 ' HB3' HH12 ' A' ' 42' ' ' ARG . 94.1 m-20 -75.41 -38.67 59.73 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.212 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.4 p -130.79 12.43 5.28 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 120.318 1.417 . . . . 0.0 112.258 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' CYS . 28.7 mm100 59.33 1.49 0.25 Allowed 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -60.8 144.8 51.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.75 -1.844 . . . . 0.0 107.759 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -108.13 -3.22 18.79 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -106.55 121.38 44.19 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.51 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.8 p -144.59 148.86 34.89 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.074 -1.016 . . . . 0.0 110.121 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.5 p -74.12 -42.39 60.11 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' NH1' ' A' ' 19' ' ' ARG . 11.8 tp -143.67 130.88 20.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.202 -0.936 . . . . 0.0 108.691 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CZ3' HG21 ' A' ' 15' ' ' THR . 65.6 m95 -77.37 127.56 32.78 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.836 -1.165 . . . . 0.0 108.801 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.628 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -115.18 120.66 40.48 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.551 -0.718 . . . . 0.0 109.938 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 20' ' ' ARG . 5.1 tpt180 -71.71 143.14 49.76 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -89.0 152.4 48.29 Favored Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 120.83 -1.169 . . . . 0.0 109.701 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -49.24 -22.82 6.02 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.13 1.22 . . . . 0.0 112.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' OD2' ' A' ' 25' ' ' ASP . 25.9 ptm -92.47 -14.41 28.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.336 -0.853 . . . . 0.0 109.776 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.24 23.13 10.71 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' OD2' ' SD ' ' A' ' 23' ' ' MET . 35.9 m-20 -103.35 117.22 60.69 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.03 -1.277 . . . . 0.0 108.825 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -53.05 135.14 58.33 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 120.283 1.137 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG11 ' ND2' ' A' ' 9' ' ' ASN . 5.1 m -139.88 159.65 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 O-C-N 121.109 -0.994 . . . . 0.0 110.246 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.4 153.06 25.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.218 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -49.96 -32.02 13.93 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.96 -1.088 . . . . 0.0 112.123 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -51.77 28.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.319 -1.488 . . . . 0.0 110.312 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 m -57.06 -43.85 82.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.969 -1.082 . . . . 0.0 110.567 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.83 -51.54 54.58 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.601 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.215 -1.168 . . . . 0.0 109.885 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.06 -41.7 92.91 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 109.551 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 39' ' ' GLN . 19.9 t80 -68.89 -48.12 64.15 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.659 -0.651 . . . . 0.0 110.44 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.02 -41.2 91.68 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 120.013 -1.68 . . . . 0.0 110.6 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.81 -38.58 76.66 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.052 -1.03 . . . . 0.0 110.871 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -119.49 -9.16 9.9 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.042 -1.036 . . . . 0.0 112.097 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.705 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.3 tt0 43.02 51.2 5.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.353 -1.467 . . . . 0.0 111.123 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.84 152.04 13.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -85.78 132.61 34.09 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.177 -0.952 . . . . 0.0 108.862 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.833 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -119.61 150.0 49.22 Favored Pre-proline 0 N--CA 1.507 2.4 0 O-C-N 121.326 -0.859 . . . . 0.0 109.47 -179.604 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -51.66 150.33 16.94 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 120.677 0.918 . . . . 0.0 113.633 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.569 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp -67.08 -19.12 65.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.837 -0.539 . . . . 0.0 110.646 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 2.0 t -43.53 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.09 -1.006 . . . . 0.0 110.318 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 44' ' ' LEU . 75.6 mmm -78.52 -46.64 19.07 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.026 -1.046 . . . . 0.0 110.189 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -81.33 169.23 17.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.88 . . . . 0.0 111.105 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -137.86 164.29 29.33 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -49.09 -79.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.913 . . . . 0.0 109.81 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.23 -176.73 24.55 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.25 135.91 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.368 -1.078 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -78.2 153.4 32.02 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.3 162.7 33.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.683 -1.261 . . . . 0.0 110.503 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.66 155.52 40.36 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.06 137.59 46.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.193 -0.942 . . . . 0.0 108.842 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -59.14 126.91 29.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.914 . . . . 0.0 110.436 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -68.28 -169.16 0.13 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.65 -0.656 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.305 -1.369 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.747 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.979 0 CA-C-O 121.392 0.615 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 1.03 62.63 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.214 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -59.47 120.81 10.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.572 -1.546 . . . . 0.0 109.262 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 m -116.46 140.03 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.2 t -62.95 118.55 7.96 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.592 -1.317 . . . . 0.0 110.494 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -60.14 -40.03 88.42 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.087 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.569 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -76.16 -39.69 54.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.956 -1.09 . . . . 0.0 112.481 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 12' ' ' THR . 10.6 p -128.31 15.13 6.68 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.691 -1.256 . . . . 0.0 112.312 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 95.2 mt-30 56.1 0.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.846 -1.159 . . . . 0.0 113.301 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.41 HG22 ' SG ' ' A' ' 10' ' ' CYS . 5.8 t -65.37 153.11 42.15 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.962 -1.711 . . . . 0.0 109.434 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 t -114.01 -7.96 13.08 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 121.201 -0.937 . . . . 0.0 109.191 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -97.5 118.64 34.43 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.6 p -145.08 147.42 32.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 p -77.14 -37.18 54.5 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.7 tp -149.06 131.14 15.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 15' ' ' THR . 79.8 m95 -78.94 129.31 34.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 108.925 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.816 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.3 mmt180 -113.65 122.68 47.92 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.222 -0.924 . . . . 0.0 109.514 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -71.94 140.53 49.22 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.029 -1.67 . . . . 0.0 107.536 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.34 160.48 37.01 Favored Pre-proline 0 N--CA 1.506 2.374 0 O-C-N 120.809 -1.182 . . . . 0.0 109.597 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.18 -20.76 15.12 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 121.305 1.337 . . . . 0.0 112.721 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -96.51 -8.32 32.35 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.016 . . . . 0.0 109.554 -179.746 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.29 27.78 19.44 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.041 -1.623 . . . . 0.0 109.041 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 5.9 m-20 -103.41 109.93 62.79 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.16 134.47 30.36 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.04 1.05 . . . . 0.0 113.357 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.569 HG11 ' ND2' ' A' ' 9' ' ' ASN . 12.5 m -138.35 159.81 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.872 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -81.92 157.86 24.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.851 -1.156 . . . . 0.0 109.952 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.816 ' ND2' HH21 ' A' ' 19' ' ' ARG . 51.1 t-20 -49.79 -42.27 46.36 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.488 -0.758 . . . . 0.0 112.111 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.08 59.15 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.594 -1.316 . . . . 0.0 110.658 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 35' ' ' TYR . 29.5 m -54.85 -45.87 74.6 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.803 -1.186 . . . . 0.0 110.699 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.04 67.07 Favored Glycine 0 C--N 1.284 -2.33 0 C-N-CA 119.162 -1.494 . . . . 0.0 110.983 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.84 -58.99 3.22 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.038 -1.272 . . . . 0.0 111.254 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 56.7 t80 -60.1 -42.25 94.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.62 -1.3 . . . . 0.0 110.242 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.9 t80 -64.7 -44.8 89.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.984 -1.072 . . . . 0.0 109.172 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.06 -43.69 95.23 Favored 'General case' 0 C--N 1.291 -1.978 0 O-C-N 120.287 -1.508 . . . . 0.0 109.983 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.76 -39.97 63.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.198 -0.939 . . . . 0.0 111.611 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.447 ' CG ' ' CE1' ' A' ' 34' ' ' TYR . 38.2 m80 -114.25 -6.66 12.99 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.1 -1.0 . . . . 0.0 112.358 -176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 35.58 48.9 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.861 -1.15 . . . . 0.0 112.723 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 38' ' ' HIS . 6.2 m -136.45 143.34 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.198 -0.939 . . . . 0.0 108.789 177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -87.82 137.21 32.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.702 -0.624 . . . . 0.0 109.539 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 15.9 mmm180 -107.02 150.47 39.87 Favored Pre-proline 0 N--CA 1.506 2.356 0 O-C-N 121.019 -1.051 . . . . 0.0 108.827 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' THR . 10.2 Cg_endo -63.0 45.8 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 120.567 0.845 . . . . 0.0 113.245 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' ARG . 8.9 mp 45.87 13.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.232 -0.918 . . . . 0.0 111.703 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' PRO . 9.7 t -73.11 -10.1 59.42 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 120.585 -1.322 . . . . 0.0 109.384 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.662 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.8 tpt -97.72 -18.13 19.01 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.348 -0.845 . . . . 0.0 111.12 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -68.9 140.08 55.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.352 -1.467 . . . . 0.0 110.622 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 50' ' ' GLY . 8.0 mtmp? -115.01 128.68 56.42 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.61 6.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 111.282 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.19 167.04 30.66 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.634 -1.291 . . . . 0.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -94.64 114.69 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.322 -1.105 . . . . 0.0 108.188 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.2 167.09 22.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.172 -1.58 . . . . 0.0 110.187 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.31 161.09 36.75 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.508 0.671 . . . . 0.0 109.618 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -146.78 162.2 39.06 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.464 0.649 . . . . 0.0 109.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -58.52 140.57 53.91 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.329 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -62.01 127.14 29.98 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.424 -0.798 . . . . 0.0 109.472 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' A' ' 57' ' ' LYS . 41.5 pttt -66.12 -169.36 0.07 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.079 . . . . 0.0 110.054 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.517 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.19 0.519 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.3 -7.66 77.57 Favored Glycine 0 N--CA 1.499 2.838 0 O-C-N 121.142 -0.973 . . . . 0.0 111.142 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -68.31 111.85 4.84 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.85 -1.382 . . . . 0.0 109.734 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.57 142.86 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.3 t -61.83 116.07 4.53 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 120.7 -1.25 . . . . 0.0 110.197 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -60.02 -39.02 84.4 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.479 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.491 ' ND2' HG11 ' A' ' 27' ' ' VAL . 92.6 m-20 -76.24 -39.31 54.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.826 -1.171 . . . . 0.0 112.47 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.7 p -129.49 11.12 5.76 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-N 120.627 1.558 . . . . 0.0 112.654 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.2 tt0 64.2 -2.6 0.57 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.822 -1.174 . . . . 0.0 113.684 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -61.66 159.17 13.84 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 119.431 -2.043 . . . . 0.0 109.019 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -135.59 13.05 3.46 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.923 -1.111 . . . . 0.0 108.688 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 10.5 p -114.79 48.95 1.08 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.528 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.86 148.14 36.68 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.233 -0.917 . . . . 0.0 112.071 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -78.47 -39.05 39.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 3.6 tp -143.42 130.31 20.49 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 15' ' ' THR . 77.9 m95 -81.25 128.24 33.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.972 -1.08 . . . . 0.0 109.067 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.686 HH21 ' ND2' ' A' ' 29' ' ' ASN . 22.8 mmt180 -113.84 115.36 27.62 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.493 -0.754 . . . . 0.0 109.066 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 19.8 tpt180 -66.25 141.55 57.99 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -91.11 151.79 43.46 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 120.868 -1.145 . . . . 0.0 109.29 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -47.28 -24.65 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.288 1.326 . . . . 0.0 113.304 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -90.47 -17.34 27.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.256 -0.903 . . . . 0.0 109.521 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 101.61 23.15 9.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -101.13 111.67 63.84 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.192 -1.181 . . . . 0.0 109.479 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -48.5 129.49 19.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 CA-C-N 120.167 1.095 . . . . 0.0 112.647 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.491 HG11 ' ND2' ' A' ' 9' ' ' ASN . 16.1 m -135.98 160.29 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 O-C-N 121.327 -0.858 . . . . 0.0 110.086 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.93 158.85 22.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.03 -1.044 . . . . 0.0 111.211 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.686 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.0 t-20 -44.3 -46.22 9.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.879 -178.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -67.97 -51.29 49.1 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.806 -1.184 . . . . 0.0 111.298 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.1 m -55.42 -46.49 76.66 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.687 -1.258 . . . . 0.0 109.372 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.21 59.62 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 119.327 -1.416 . . . . 0.0 110.425 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -52.83 21.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.069 -1.254 . . . . 0.0 110.344 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 20.2 t80 -59.98 -47.44 85.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.794 -1.191 . . . . 0.0 109.534 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.3 t80 -60.07 -45.17 93.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.98 -47.84 84.16 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 119.922 -1.737 . . . . 0.0 110.308 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.5 mp -70.17 -40.04 74.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.014 -1.054 . . . . 0.0 111.325 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -108.14 -20.09 13.27 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.954 -1.091 . . . . 0.0 112.288 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 35' ' ' TYR . 54.0 tt0 47.49 52.95 11.73 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.347 -1.471 . . . . 0.0 111.188 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -150.02 150.28 13.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -85.92 134.15 33.9 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.121 -0.987 . . . . 0.0 109.265 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -120.09 152.5 54.46 Favored Pre-proline 0 N--CA 1.508 2.448 0 O-C-N 121.265 -0.897 . . . . 0.0 109.863 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.9 Cg_endo -58.94 152.44 58.17 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.094 1.863 . . . . 0.0 113.06 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.0 mp -66.12 24.52 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.491 -0.756 . . . . 0.0 111.082 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -62.42 -14.82 44.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.666 -1.271 . . . . 0.0 109.558 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.509 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 63.5 mmm -100.86 -14.63 17.88 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.285 -0.885 . . . . 0.0 110.404 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.707 HH12 ' HB3' ' A' ' 30' ' ' ALA . 2.4 mmp_? -83.11 136.26 34.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.048 -1.033 . . . . 0.0 112.023 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.7 mtpt -134.54 157.52 46.32 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LYS . 32.1 m-20 -41.73 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.551 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.42 -172.41 19.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.5 mt -90.69 145.16 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 121.136 -1.214 . . . . 0.0 109.251 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -71.96 147.3 47.08 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.05 158.55 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.856 -1.152 . . . . 0.0 110.185 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 55' ' ' ASN . 38.0 ttm180 -152.2 163.37 39.53 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.814 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 74.3 m-80 -49.6 132.72 21.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.137 -0.977 . . . . 0.0 108.502 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -59.01 131.65 51.69 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.705 0.764 . . . . 0.0 111.365 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.17 157.27 3.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.764 -0.585 . . . . 0.0 109.983 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.063 -179.108 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 14.37 40.38 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.144 -1.983 . . . . 0.0 108.144 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -61.09 119.86 9.16 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.28 -1.129 . . . . 0.0 110.42 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.15 140.74 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.1 t -66.16 118.99 10.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.652 -1.28 . . . . 0.0 110.53 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -60.84 -39.97 91.06 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.565 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.483 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.7 m120 -72.33 -39.92 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.941 -1.1 . . . . 0.0 112.234 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 12' ' ' THR . 15.7 p -129.04 7.16 5.49 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 120.37 1.441 . . . . 0.0 112.208 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 7' ' ' CYS . 38.7 tp60 62.23 1.67 0.74 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.327 -1.483 . . . . 0.0 112.74 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.43 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -64.23 154.03 36.23 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.119 -1.613 . . . . 0.0 108.244 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -114.09 -4.27 13.18 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.045 -1.035 . . . . 0.0 109.074 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -103.73 120.56 41.19 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.427 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.4 p -145.43 148.34 33.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.092 -1.005 . . . . 0.0 109.841 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -74.82 -41.16 60.45 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' NH1' ' A' ' 19' ' ' ARG . 5.9 tp -145.62 131.09 18.71 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CZ3' HG21 ' A' ' 15' ' ' THR . 78.2 m95 -77.87 128.62 34.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.711 HH21 ' ND2' ' A' ' 29' ' ' ASN . 28.3 mmt180 -111.85 178.15 4.41 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -131.99 140.95 49.12 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.83 161.82 32.7 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 120.827 -1.171 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -52.67 -18.02 8.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.455 1.436 . . . . 0.0 113.099 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.3 -2.72 41.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.94 -1.1 . . . . 0.0 109.698 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.48 27.36 27.6 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.6 117.16 65.67 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.207 -1.172 . . . . 0.0 109.69 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -52.1 138.15 53.67 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 CA-C-N 119.987 1.031 . . . . 0.0 112.007 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.1 m -143.28 159.81 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.228 -0.92 . . . . 0.0 110.342 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.7 159.73 21.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.109 -0.995 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.711 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.2 t-20 -47.68 -38.0 14.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.495 -0.753 . . . . 0.0 111.931 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -50.56 18.35 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.611 -1.306 . . . . 0.0 111.488 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' HH21 ' A' ' 42' ' ' ARG . 65.3 m -57.78 -43.12 85.37 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.451 -1.405 . . . . 0.0 109.849 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.57 -53.78 36.72 Favored Glycine 0 N--CA 1.484 1.851 0 C-N-CA 119.315 -1.421 . . . . 0.0 110.421 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.84 -47.61 74.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -1.148 . . . . 0.0 110.734 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.791 -1.193 . . . . 0.0 109.258 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.2 t80 -62.22 -49.09 77.14 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.717 0.77 . . . . 0.0 110.298 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -57.01 -41.74 79.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.046 -1.034 . . . . 0.0 111.704 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.0 -49.97 75.56 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.242 -1.536 . . . . 0.0 109.709 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 73.8 m-70 -101.7 -71.19 0.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER 116.15 55.44 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 124.082 0.953 . . . . 0.0 110.034 -179.591 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -147.43 160.65 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -84.59 153.1 23.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 108.668 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.09 149.95 61.82 Favored Pre-proline 0 N--CA 1.507 2.421 0 O-C-N 120.962 -1.086 . . . . 0.0 109.659 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -48.9 151.6 5.38 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 120.74 0.96 . . . . 0.0 112.779 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.35 7.93 2.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.26 -0.9 . . . . 0.0 109.229 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.4 p -64.13 -12.7 42.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 108.847 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttt -96.48 -7.48 34.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -80.18 131.36 35.7 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.421 0.629 . . . . 0.0 110.665 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 50' ' ' GLY . 61.4 tttm -122.73 139.69 53.7 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 4.37 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.126 -0.984 . . . . 0.0 111.029 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.9 175.99 31.98 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.46 135.63 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.079 -1.248 . . . . 0.0 108.575 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.97 153.73 34.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 108.452 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.03 159.63 41.32 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.948 -1.095 . . . . 0.0 110.057 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -152.3 176.4 11.65 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.371 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.06 135.36 57.75 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.137 -0.977 . . . . 0.0 108.708 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 92.3 mtt180 -70.04 138.4 52.1 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.545 0.688 . . . . 0.0 112.503 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 28.8 ttmt -40.44 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.401 0.619 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 -12.31 44.04 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -69.16 110.45 4.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.661 -1.494 . . . . 0.0 110.018 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -121.21 141.37 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.0 t -61.9 120.18 10.25 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.817 -1.177 . . . . 0.0 110.931 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.698 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.93 -39.18 43.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.324 -0.95 . . . . 0.0 112.344 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.9 p -128.37 12.06 6.44 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 120.117 1.326 . . . . 0.0 112.254 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' CYS . 47.8 mt-30 55.33 -1.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.828 -1.17 . . . . 0.0 112.867 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 10' ' ' CYS . 6.0 t -61.71 155.54 22.49 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.214 -1.554 . . . . 0.0 107.902 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.5 p -131.92 10.92 4.67 Favored 'General case' 0 N--CA 1.509 2.518 0 O-C-N 120.884 -1.135 . . . . 0.0 109.706 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 17.8 p -110.01 47.66 0.94 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.245 -0.909 . . . . 0.0 108.596 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.511 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -77.93 148.52 34.49 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.615 -0.678 . . . . 0.0 111.483 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 p -76.59 -37.92 55.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.564 HD23 HH12 ' A' ' 19' ' ' ARG . 7.3 tp -141.18 131.19 24.59 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 15' ' ' THR . 29.8 m95 -79.72 129.54 34.56 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.905 -1.122 . . . . 0.0 109.163 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.564 HH12 HD23 ' A' ' 17' ' ' LEU . 4.4 mmt-85 -114.17 179.77 3.86 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.49 0.662 . . . . 0.0 109.727 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -131.68 143.56 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.51 159.59 38.56 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.126 -0.984 . . . . 0.0 108.81 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -16.3 5.97 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.238 1.292 . . . . 0.0 112.038 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -94.48 -10.61 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.325 -0.859 . . . . 0.0 109.994 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.35 24.56 26.15 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.8 m-20 -99.21 116.66 64.98 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.467 -1.02 . . . . 0.0 109.276 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -49.42 131.55 27.79 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.023 1.044 . . . . 0.0 112.372 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.53 159.39 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.432 -0.792 . . . . 0.0 110.125 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 p -82.64 154.77 24.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.154 -0.966 . . . . 0.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.02 -31.6 13.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.259 -0.901 . . . . 0.0 111.078 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.74 15.92 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.709 -1.244 . . . . 0.0 111.001 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.5 m -58.37 -41.21 84.28 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.398 -1.439 . . . . 0.0 110.454 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.14 64.75 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 118.621 -1.752 . . . . 0.0 109.608 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.99 -51.32 33.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.44 -1.035 . . . . 0.0 110.549 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 15.1 t80 -60.01 -47.55 85.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.123 . . . . 0.0 109.893 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.0 t80 -60.0 -45.48 92.62 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.694 0.759 . . . . 0.0 109.848 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -60.07 -41.31 92.12 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 120.082 -1.636 . . . . 0.0 110.526 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.78 -40.97 72.3 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.851 -1.156 . . . . 0.0 111.989 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -114.78 -10.35 12.41 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.889 -1.132 . . . . 0.0 111.36 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.8 tt0 43.55 53.68 5.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.656 -1.277 . . . . 0.0 111.449 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 m -149.13 156.4 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -85.6 124.63 32.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.772 -1.205 . . . . 0.0 109.438 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -96.58 131.96 27.24 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.205 -0.935 . . . . 0.0 109.819 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -45.51 152.2 0.92 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 119.968 1.024 . . . . 0.0 113.01 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.41 5.41 1.78 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.476 -0.765 . . . . 0.0 111.337 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -58.45 -13.22 4.98 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 110.248 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ttt -94.31 -11.23 30.51 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.933 -1.104 . . . . 0.0 110.275 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -79.74 138.01 37.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.787 -1.196 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.3 mtpm? -124.31 142.51 51.21 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.25 2.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.325 -0.859 . . . . 0.0 112.349 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -152.32 171.99 31.55 Favored Glycine 0 N--CA 1.495 2.616 0 O-C-N 120.41 -1.431 . . . . 0.0 109.958 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -87.87 136.17 23.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 O-C-N 121.26 -1.141 . . . . 0.0 109.055 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.78 146.04 31.16 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.74 159.29 42.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.933 -1.104 . . . . 0.0 109.206 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -150.76 156.57 41.56 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -53.77 139.88 31.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.452 -0.78 . . . . 0.0 109.423 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -62.59 131.24 48.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.423 -0.798 . . . . 0.0 110.665 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -70.26 -168.66 0.24 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 111.023 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.629 -0.67 . . . . 0.0 109.756 -179.381 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.355 0.598 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.46 -16.4 10.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -62.89 119.95 10.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -1.205 . . . . 0.0 110.619 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -121.5 140.65 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.5 t -62.86 117.23 6.08 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 120.804 -1.185 . . . . 0.0 110.413 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.7 m -60.19 -39.94 88.27 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 109.988 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.411 ' H ' HG12 ' A' ' 27' ' ' VAL . 75.8 m-20 -74.05 -39.16 63.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.879 -1.138 . . . . 0.0 111.666 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 12' ' ' THR . 4.1 p -133.58 16.92 3.97 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.644 -1.285 . . . . 0.0 112.549 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' CYS . 40.8 tt0 51.74 -1.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.576 -1.327 . . . . 0.0 114.151 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 15.2 t -57.07 145.06 32.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 119.339 -2.101 . . . . 0.0 107.996 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.8 p -107.28 -9.76 15.98 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.143 -0.973 . . . . 0.0 109.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 p -98.29 119.37 36.85 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.426 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -145.3 149.12 34.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.154 -0.966 . . . . 0.0 109.492 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 p -78.26 -38.88 41.72 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.8 tp -148.06 131.32 16.49 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.221 -0.924 . . . . 0.0 108.649 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.426 ' CZ3' HG21 ' A' ' 15' ' ' THR . 94.4 m95 -80.82 130.26 34.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.021 -1.05 . . . . 0.0 108.788 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.789 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.0 mmt180 -115.6 121.41 42.54 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.056 -1.027 . . . . 0.0 109.656 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -69.05 141.24 54.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.985 -1.697 . . . . 0.0 106.671 178.442 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.44 157.47 44.57 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 120.787 -1.195 . . . . 0.0 109.658 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -50.71 -21.87 8.72 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.13 1.22 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.5 tpt -96.08 -12.17 25.24 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -0.927 . . . . 0.0 109.218 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.59 27.27 10.72 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -104.66 110.21 64.04 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.169 -1.195 . . . . 0.0 109.166 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -49.88 131.18 29.1 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 119.98 1.028 . . . . 0.0 112.757 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.4 m -133.95 161.77 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 O-C-N 121.669 -0.645 . . . . 0.0 110.058 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.18 156.21 23.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.825 -1.172 . . . . 0.0 109.443 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.789 ' ND2' HH21 ' A' ' 19' ' ' ARG . 38.7 t-20 -45.7 -46.64 15.01 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.516 -0.74 . . . . 0.0 112.085 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -50.21 71.67 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.683 -1.261 . . . . 0.0 111.048 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.7 m -55.77 -43.14 76.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.607 -1.308 . . . . 0.0 110.075 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.71 72.93 Favored Glycine 0 C--N 1.291 -1.963 0 C-N-CA 119.166 -1.493 . . . . 0.0 110.417 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.34 -51.94 26.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.142 -1.211 . . . . 0.0 110.669 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.94 -41.89 92.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.741 -1.225 . . . . 0.0 109.201 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.711 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.5 t80 -66.32 -48.15 71.21 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-O 121.69 0.757 . . . . 0.0 109.863 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 119.862 -1.774 . . . . 0.0 109.892 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.08 -41.07 71.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 111.165 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -114.52 -10.16 12.59 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 120.835 -1.166 . . . . 0.0 112.007 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.711 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.5 tt0 41.27 55.84 3.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.54 -1.35 . . . . 0.0 112.027 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -149.54 153.47 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 6.9 p30 -83.73 123.64 30.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.91 -1.119 . . . . 0.0 109.587 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 42' ' ' ARG . 9.6 ttt-85 -97.67 132.38 25.18 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -48.42 150.93 5.13 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 CA-C-N 119.86 0.986 . . . . 0.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' MET . 8.4 mp -66.52 -12.59 58.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.661 -0.649 . . . . 0.0 111.807 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -46.49 -13.27 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.863 -1.148 . . . . 0.0 110.473 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' LEU . 26.8 ttt -97.74 -14.0 21.1 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.951 -1.093 . . . . 0.0 112.675 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.586 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 18.4 mmt180 -77.14 149.62 35.62 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.088 -1.633 . . . . 0.0 110.441 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ASP . 80.6 tttt -124.84 142.31 51.52 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' LYS . 73.0 m-20 -42.45 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.245 -0.909 . . . . 0.0 110.543 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.02 -173.21 24.4 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -92.63 143.4 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.252 -1.146 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.31 151.68 29.38 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.04 161.78 36.8 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.474 -1.391 . . . . 0.0 111.106 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -144.93 171.34 14.58 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -59.93 140.01 56.99 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 56' ' ' ARG . 22.6 mmt-85 -56.57 126.48 26.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.317 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 5.0 ttpm? -47.35 165.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.529 -0.732 . . . . 0.0 109.274 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.8 t . . . . . 0 C--N 1.302 -1.461 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.424 0.631 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 3.39 68.09 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 m -63.85 121.44 14.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -1.182 . . . . 0.0 112.09 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.66 141.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.7 t -57.7 119.58 6.87 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 120.809 -1.182 . . . . 0.0 111.188 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.02 -39.96 87.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.775 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' H ' HG12 ' A' ' 27' ' ' VAL . 98.1 m-20 -79.28 -38.13 36.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.894 -1.129 . . . . 0.0 111.245 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' GLN . 4.2 p -134.66 23.87 3.68 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.522 -1.361 . . . . 0.0 112.595 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' CYS . 10.4 pt20 27.66 58.98 0.1 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 10.2 t -99.6 140.9 33.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -99.97 -2.84 33.55 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.956 1.707 . . . . 0.0 107.931 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -110.25 119.31 38.82 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.442 HG21 ' CH2' ' A' ' 18' ' ' TRP . 4.9 p -144.36 148.57 34.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.12 -0.988 . . . . 0.0 109.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -76.83 -41.45 44.16 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.974 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.8 tp -145.32 131.5 19.45 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.329 -0.857 . . . . 0.0 108.737 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CH2' HG21 ' A' ' 15' ' ' THR . 81.1 m95 -81.63 129.62 34.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 108.853 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.974 ' NH1' HD23 ' A' ' 17' ' ' LEU . 16.0 mmt180 -112.23 117.17 31.8 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.137 -0.977 . . . . 0.0 108.75 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' SER . 7.6 tpp180 -86.38 85.0 7.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 119.979 -1.701 . . . . 0.0 108.645 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -33.74 157.37 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.813 -0.554 . . . . 0.0 111.923 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.21 -8.85 2.81 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.623 1.549 . . . . 0.0 112.847 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.6 -24.65 19.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.336 -0.852 . . . . 0.0 109.476 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.35 17.07 18.81 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 4.8 m-20 -102.61 129.37 26.08 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.794 -1.415 . . . . 0.0 109.214 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -65.09 135.92 45.81 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 CA-C-N 120.16 1.093 . . . . 0.0 113.588 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.3 m -142.76 161.01 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.389 -0.819 . . . . 0.0 109.29 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 p -83.75 155.95 22.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.921 -1.112 . . . . 0.0 110.046 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.704 ' ND2' HH21 ' A' ' 19' ' ' ARG . 49.4 t-20 -49.54 -35.52 20.58 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.489 -0.757 . . . . 0.0 111.56 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' CB ' HH22 ' A' ' 42' ' ' ARG . . . -68.68 -49.0 62.49 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.596 -1.315 . . . . 0.0 110.216 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' CA ' HH21 ' A' ' 42' ' ' ARG . 56.9 m -61.63 -43.97 97.87 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.955 -1.091 . . . . 0.0 109.881 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.33 -51.3 43.09 Favored Glycine 0 C--N 1.291 -1.925 0 C-N-CA 119.154 -1.498 . . . . 0.0 110.39 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 63.6 mt -69.41 -49.82 51.59 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.161 -1.199 . . . . 0.0 110.736 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.517 -1.364 . . . . 0.0 109.652 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.0 t80 -67.77 -49.66 61.29 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.821 0.819 . . . . 0.0 109.884 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.0 ttpm? -59.98 -40.71 90.04 Favored 'General case' 0 C--N 1.289 -2.03 0 O-C-N 120.209 -1.557 . . . . 0.0 109.873 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.52 -40.02 73.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.403 -0.811 . . . . 0.0 111.515 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -120.08 -4.68 10.04 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.92 -1.113 . . . . 0.0 111.991 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.4 tt0 39.58 55.63 2.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.882 -1.136 . . . . 0.0 111.612 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.55 150.84 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -85.53 129.32 34.85 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.153 -0.967 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.553 HH21 ' CA ' ' A' ' 31' ' ' CYS . 14.1 ptt180 -101.87 151.57 37.99 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.206 -0.934 . . . . 0.0 110.198 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.8 Cg_endo -63.63 149.19 91.52 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.193 1.262 . . . . 0.0 112.334 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.54 9.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.401 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 43' ' ' PRO . 12.2 p -60.97 -15.56 32.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.833 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.24 -8.66 32.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.258 -0.901 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -77.39 125.02 28.66 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' GLY . 23.2 ttpp -122.27 137.02 54.99 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.66 1.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.279 -0.888 . . . . 0.0 111.849 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.17 173.05 32.09 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.563 -1.335 . . . . 0.0 110.377 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mt -90.41 139.88 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.026 . . . . 0.0 108.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -80.28 148.48 30.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.162 -0.961 . . . . 0.0 109.108 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 161.97 35.81 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.742 -1.224 . . . . 0.0 110.466 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -151.08 159.15 44.68 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.48 136.0 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.995 -1.065 . . . . 0.0 109.016 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 122.54 7.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -69.84 -177.05 1.19 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 110.282 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.515 -0.741 . . . . 0.0 109.663 -179.713 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.371 0.605 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.95 -12.16 50.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -68.08 111.63 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.802 -1.411 . . . . 0.0 109.748 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.56 140.37 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -62.7 116.83 5.55 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.424 -1.423 . . . . 0.0 109.986 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m -60.05 -39.95 87.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.67 -0.644 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.71 -39.36 57.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.949 -1.094 . . . . 0.0 111.965 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -129.01 13.97 6.27 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 120.539 -1.351 . . . . 0.0 112.473 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.8 mt-30 59.18 2.34 0.28 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -62.93 147.09 51.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.788 -1.82 . . . . 0.0 108.302 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -109.75 -10.7 14.78 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 107.337 -1.356 . . . . 0.0 107.337 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.3 p -102.73 125.39 49.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -148.31 152.28 36.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.235 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -74.23 -40.37 62.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 HH12 ' A' ' 19' ' ' ARG . 9.1 tp -146.46 133.1 19.87 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -79.36 124.72 28.68 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.708 -1.245 . . . . 0.0 110.17 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.739 HH12 HD23 ' A' ' 17' ' ' LEU . 2.8 mmt-85 -115.51 128.87 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.924 -0.485 . . . . 0.0 109.745 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.47 145.43 29.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.164 -1.585 . . . . 0.0 107.11 178.136 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.48 158.73 42.71 Favored Pre-proline 0 N--CA 1.498 1.973 0 O-C-N 120.871 -1.143 . . . . 0.0 108.699 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -49.83 -21.98 6.62 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.495 1.463 . . . . 0.0 113.333 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -92.83 -9.57 39.9 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.987 -1.071 . . . . 0.0 109.825 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.74 21.81 27.67 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.16 113.47 63.98 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -49.02 126.54 15.35 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 CA-C-N 119.923 1.008 . . . . 0.0 112.792 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.04 158.8 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.523 -0.736 . . . . 0.0 109.9 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -82.26 156.84 24.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 0.0 109.02 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -50.0 -34.54 21.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.141 -0.974 . . . . 0.0 110.867 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.3 13.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.716 -1.24 . . . . 0.0 110.478 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.3 -44.0 88.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.827 -1.171 . . . . 0.0 110.083 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.88 -47.89 46.46 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.623 -1.275 . . . . 0.0 110.18 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.3 -51.91 32.62 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.262 -1.14 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.12 -40.51 89.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.402 -1.436 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.2 t80 -62.96 -51.48 66.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.261 -0.899 . . . . 0.0 109.921 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.01 -40.95 91.02 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.624 -1.297 . . . . 0.0 110.605 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.97 -47.66 84.92 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.913 -1.117 . . . . 0.0 108.586 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.566 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 55.3 m80 -106.45 -72.59 0.71 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.566 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 16.5 tt0 114.22 59.01 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.986 0 CA-C-O 122.395 1.093 . . . . 0.0 108.584 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -147.96 160.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -85.26 129.16 34.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.567 -1.333 . . . . 0.0 109.532 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -92.32 130.25 38.31 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.802 . . . . 0.0 109.443 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -46.72 150.65 2.39 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 CA-C-N 120.058 1.057 . . . . 0.0 112.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.1 mp -64.59 -29.9 70.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.579 -0.701 . . . . 0.0 110.711 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 57.3 p -47.16 -15.27 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.736 -1.228 . . . . 0.0 109.471 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' LEU . 11.1 tpt -80.58 -43.97 19.74 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.382 -0.824 . . . . 0.0 110.621 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.03 172.13 14.18 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.196 -0.94 . . . . 0.0 110.91 -178.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -137.89 159.62 41.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.31 -83.27 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.463 -0.773 . . . . 0.0 110.218 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.62 -171.43 26.92 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 mt -88.87 141.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -1.202 . . . . 0.0 109.824 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.28 156.47 28.06 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.93 160.62 39.99 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.813 -1.18 . . . . 0.0 111.691 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -149.99 170.16 19.51 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.981 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.45 142.28 44.56 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -64.57 126.14 26.92 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.642 0.734 . . . . 0.0 110.781 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.05 139.91 50.81 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.538 0.685 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.3 -1.572 0 O-C-N 121.558 -0.714 . . . . 0.0 109.648 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.175 0.512 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.22 83.77 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.193 -0.942 . . . . 0.0 111.734 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 m -68.71 118.42 11.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.781 -1.423 . . . . 0.0 110.818 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -121.59 142.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.3 t -59.74 119.37 7.51 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.833 -1.167 . . . . 0.0 110.581 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -60.96 -40.15 92.25 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -77.52 -38.27 49.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.85 -1.156 . . . . 0.0 111.691 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 p -131.0 14.57 5.22 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 120.135 1.334 . . . . 0.0 113.079 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.3 mt-30 57.03 0.01 0.07 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -59.55 157.49 11.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 119.695 -1.878 . . . . 0.0 108.292 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 p -132.33 9.52 4.39 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 120.747 -1.221 . . . . 0.0 108.638 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 80.5 p -114.22 50.93 0.9 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.709 0.766 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.471 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -78.86 149.73 32.4 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 121.272 -0.892 . . . . 0.0 111.157 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.2 p -74.35 -39.02 63.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.768 HD23 HH12 ' A' ' 19' ' ' ARG . 8.7 tp -143.75 132.31 22.33 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' ' 15' ' ' THR . 51.4 m95 -79.09 127.69 32.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.057 -1.027 . . . . 0.0 109.86 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.768 HH12 HD23 ' A' ' 17' ' ' LEU . 5.4 mmt-85 -117.96 131.52 56.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.85 -0.531 . . . . 0.0 110.019 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.5 mmt-85 -84.14 145.23 28.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.327 -1.483 . . . . 0.0 107.605 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -91.03 152.96 44.77 Favored Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.965 -1.084 . . . . 0.0 108.655 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -44.87 -19.87 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.142 1.228 . . . . 0.0 114.082 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.27 -11.42 27.95 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.771 -1.206 . . . . 0.0 110.618 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.71 26.28 10.85 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.6 m-20 -105.92 115.04 62.04 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.165 -1.197 . . . . 0.0 109.2 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -49.0 128.51 19.47 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.084 1.066 . . . . 0.0 113.299 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.62 158.47 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.39 0 O-C-N 121.574 -0.704 . . . . 0.0 109.546 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.77 154.45 24.74 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.065 -1.022 . . . . 0.0 109.095 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -49.48 -41.19 39.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.377 -0.827 . . . . 0.0 111.483 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.12 66.3 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.482 -1.386 . . . . 0.0 110.314 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.9 m -57.42 -44.19 84.42 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.616 -1.303 . . . . 0.0 110.005 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.98 -49.92 64.31 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 118.829 -1.653 . . . . 0.0 109.99 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.82 -50.88 54.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.282 -1.128 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 34.6 t80 -59.98 -45.94 91.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.435 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.9 t80 -61.88 -46.81 87.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.647 . . . . 0.0 110.566 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -60.05 -41.56 92.59 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.15 -1.594 . . . . 0.0 110.585 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.03 -39.96 75.46 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.903 -1.123 . . . . 0.0 111.557 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLN . 53.0 m80 -120.08 9.03 11.06 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 120.901 -1.124 . . . . 0.0 112.171 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 35' ' ' TYR . 21.4 pt20 33.07 41.61 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.688 -1.257 . . . . 0.0 113.682 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -138.53 156.45 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.56 127.86 34.28 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.043 -1.036 . . . . 0.0 110.627 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.56 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.2 OUTLIER -92.68 134.11 28.3 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.128 -0.983 . . . . 0.0 110.397 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -43.79 151.67 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.226 1.284 . . . . 0.0 113.471 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' MET . 4.6 mp -70.04 -29.02 65.95 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.684 . . . . 0.0 110.532 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.9 p -46.75 -12.72 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.298 -0.876 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 44' ' ' LEU . 4.1 tpt -70.0 -47.19 63.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.215 -0.928 . . . . 0.0 109.911 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -83.09 171.43 13.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.306 -0.871 . . . . 0.0 111.324 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 68.4 mttm -139.3 168.01 20.79 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 1.3 p-10 -38.42 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.419 -0.801 . . . . 0.0 111.32 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -69.37 -174.01 10.68 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -89.25 140.42 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.273 -1.133 . . . . 0.0 109.087 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -74.8 147.6 41.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.51 158.06 44.57 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.886 -1.134 . . . . 0.0 110.572 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -147.56 165.54 30.04 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -49.94 138.46 15.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.183 -0.948 . . . . 0.0 108.853 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.83 131.64 47.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 111.618 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -47.84 160.54 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.494 0.664 . . . . 0.0 110.297 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.472 -0.768 . . . . 0.0 109.396 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -16.37 12.57 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -69.99 116.9 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.796 -1.414 . . . . 0.0 110.074 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.37 141.22 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.8 t -61.45 117.83 6.2 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.513 -1.367 . . . . 0.0 110.491 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -59.94 -39.89 87.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.67 -0.644 . . . . 0.0 109.733 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.436 ' H ' HG12 ' A' ' 27' ' ' VAL . 9.6 m120 -74.34 -39.2 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.013 -1.055 . . . . 0.0 111.678 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.31 14.68 3.81 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.451 -1.405 . . . . 0.0 112.987 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.8 mt-30 56.96 0.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.428 -1.42 . . . . 0.0 114.019 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -61.0 148.89 38.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 119.526 -1.984 . . . . 0.0 107.334 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 p -111.34 -9.84 14.25 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -100.22 120.53 40.04 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.422 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.8 p -145.48 149.17 34.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.029 -1.044 . . . . 0.0 109.605 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.3 p -72.85 -40.48 65.67 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.6 tp -147.37 132.55 18.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.383 -0.823 . . . . 0.0 109.024 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.2 m95 -80.02 129.23 34.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 0.0 108.545 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.714 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.8 mmt180 -116.09 119.98 37.59 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.089 -1.007 . . . . 0.0 109.859 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -68.31 141.07 55.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.238 -1.539 . . . . 0.0 107.088 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 155.27 43.12 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.71 -1.244 . . . . 0.0 110.143 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -47.62 -22.36 2.9 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.444 1.43 . . . . 0.0 113.54 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.5 mtp -95.17 -13.06 25.33 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.812 -1.18 . . . . 0.0 109.969 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.87 20.68 18.08 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -102.11 110.99 63.81 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.975 -1.309 . . . . 0.0 110.34 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -48.15 136.55 24.21 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 CA-C-N 120.019 1.043 . . . . 0.0 113.474 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 19' ' ' ARG . 13.8 m -140.12 161.72 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.479 -0.763 . . . . 0.0 109.867 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.27 155.82 22.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.714 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.6 t-20 -43.71 -43.81 6.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.568 -0.707 . . . . 0.0 111.265 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.53 57.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.752 -1.218 . . . . 0.0 111.601 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -58.55 -43.68 89.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.38 -1.45 . . . . 0.0 110.183 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.64 -46.15 47.25 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.107 -1.52 . . . . 0.0 110.14 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -73.05 -52.87 12.72 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.599 -0.941 . . . . 0.0 110.879 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.07 -41.28 92.09 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 120.733 -1.229 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.75 -50.57 68.57 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.321 -0.862 . . . . 0.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.12 -41.88 89.24 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.427 -1.421 . . . . 0.0 110.873 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.6 -48.92 79.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.415 -1.428 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 64.0 m-70 -101.35 -71.71 0.7 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 48.7 tt0 109.67 57.87 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.705 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.28 163.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -85.98 138.39 32.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.952 -1.092 . . . . 0.0 110.269 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -110.25 135.12 20.61 Favored Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 121.227 -0.921 . . . . 0.0 110.161 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -45.37 151.27 1.02 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 CA-C-N 119.798 0.964 . . . . 0.0 112.489 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -71.87 -9.8 58.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 111.595 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LEU . 6.5 t -45.59 -16.75 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.817 -1.177 . . . . 0.0 109.87 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -85.12 -32.11 22.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.361 -0.837 . . . . 0.0 111.824 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -72.92 151.55 41.84 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.895 -1.128 . . . . 0.0 111.324 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.8 mttp -134.06 159.32 41.18 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' LYS . 4.0 m-20 -40.02 -88.11 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.143 -0.973 . . . . 0.0 110.907 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -167.02 18.75 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.36 144.06 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -1.064 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -77.64 152.4 33.86 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.62 162.11 36.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.553 -1.342 . . . . 0.0 111.398 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.23 169.78 21.08 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.688 0.756 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -65.94 140.22 58.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.646 -0.659 . . . . 0.0 110.367 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -66.92 126.82 30.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.524 -0.735 . . . . 0.0 110.365 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -65.15 -173.77 0.14 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.289 -0.882 . . . . 0.0 110.12 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.155 0.502 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -11.19 56.51 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -62.1 120.21 10.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.262 . . . . 0.0 110.386 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.88 141.8 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.7 t -63.86 115.12 4.53 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.634 -1.292 . . . . 0.0 110.294 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -60.08 -40.02 88.13 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.218 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -72.02 -39.84 68.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.0 112.259 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.2 p -130.37 12.99 5.54 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.532 -1.355 . . . . 0.0 112.184 -178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 7' ' ' CYS . 68.8 mt-30 56.43 1.96 0.08 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.844 -1.16 . . . . 0.0 113.721 176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' SG ' ' A' ' 10' ' ' CYS . 10.7 t -64.97 158.34 25.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 119.973 -1.705 . . . . 0.0 108.356 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 9.31 4.26 Favored 'General case' 0 N--CA 1.512 2.635 0 O-C-N 120.995 -1.066 . . . . 0.0 109.746 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 49' ' ' ASP . 4.9 p -109.55 48.33 0.89 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.045 0.926 . . . . 0.0 108.656 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.534 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.66 148.12 37.06 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.32 -0.863 . . . . 0.0 111.521 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -77.17 -36.82 54.78 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.1 tp -148.56 132.43 17.06 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.427 -0.796 . . . . 0.0 109.29 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CZ3' HG21 ' A' ' 15' ' ' THR . 86.5 m95 -81.6 129.52 34.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.798 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.606 ' CZ ' HD23 ' A' ' 17' ' ' LEU . 20.8 mmt180 -116.35 123.53 47.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.318 -0.864 . . . . 0.0 109.059 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -74.49 143.81 44.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.688 -1.882 . . . . 0.0 107.54 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -91.85 156.73 42.36 Favored Pre-proline 0 N--CA 1.503 2.187 0 O-C-N 120.911 -1.118 . . . . 0.0 109.699 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -49.17 -20.55 3.46 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.183 1.255 . . . . 0.0 112.724 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.75 -12.65 23.43 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.053 -1.029 . . . . 0.0 109.682 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.91 8.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -104.72 110.91 65.05 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.061 -1.258 . . . . 0.0 109.567 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -49.37 134.92 32.21 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 119.796 0.963 . . . . 0.0 112.786 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.1 m -140.18 159.95 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.371 0 O-C-N 121.299 -0.876 . . . . 0.0 110.517 178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.36 156.38 23.04 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.204 -0.935 . . . . 0.0 108.624 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.487 ' OD1' ' NH2' ' A' ' 19' ' ' ARG . 7.2 t30 -49.57 -42.17 43.64 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.084 -1.01 . . . . 0.0 111.582 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.37 -55.82 28.96 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.432 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 57.6 m -55.5 -48.38 74.72 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.712 -1.243 . . . . 0.0 110.403 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.32 -50.0 48.75 Favored Glycine 0 C--N 1.286 -2.241 0 C-N-CA 119.237 -1.459 . . . . 0.0 110.508 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.26 -54.55 14.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.905 -1.35 . . . . 0.0 110.964 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' CZ ' ' NE ' ' A' ' 42' ' ' ARG . 45.4 t80 -59.92 -46.14 90.33 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.526 -1.359 . . . . 0.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 39' ' ' GLN . 20.9 t80 -59.02 -42.13 89.43 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.197 -0.939 . . . . 0.0 108.999 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -58.54 -46.16 87.41 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.902 -1.123 . . . . 0.0 110.147 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 -57.78 11.3 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.504 -1.372 . . . . 0.0 109.909 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 2.3 m80 -96.01 -72.59 0.63 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 1.6 pt20 111.15 56.25 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 0 CA-C-O 122.399 1.095 . . . . 0.0 109.954 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.82 156.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -86.85 141.39 28.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.126 -0.984 . . . . 0.0 109.789 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.58 ' NE ' ' CZ ' ' A' ' 34' ' ' TYR . 20.5 mmt180 -99.04 150.21 36.48 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.662 -1.274 . . . . 0.0 109.391 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -64.77 44.42 0.14 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 119.65 0.911 . . . . 0.0 112.296 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' ARG . 9.3 mp 45.74 25.73 0.3 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 110.89 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.451 ' H ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.38 -12.45 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.739 -1.226 . . . . 0.0 109.95 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mmm -98.53 -14.73 19.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.185 -0.947 . . . . 0.0 111.443 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 8.4 mmt180 -81.69 139.61 34.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.355 -1.465 . . . . 0.0 109.908 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -125.6 -151.99 0.5 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 14' ' ' THR . 42.9 m-20 -89.16 -84.25 0.22 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.417 -1.427 . . . . 0.0 108.112 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.34 -166.06 21.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.2 mt -91.9 144.16 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -1.211 . . . . 0.0 109.987 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.13 149.24 44.92 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -140.11 157.57 45.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.916 -1.115 . . . . 0.0 110.662 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 51.1 mtt-85 -147.74 164.54 33.26 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.626 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.01 136.59 56.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 108.942 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.73 130.93 48.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.529 -0.732 . . . . 0.0 109.911 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.53 -170.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.304 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.305 -1.344 0 O-C-N 121.444 -0.785 . . . . 0.0 109.021 179.555 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.523 0.678 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.04 -12.97 51.93 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -68.22 114.87 7.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.046 -1.267 . . . . 0.0 110.794 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.11 140.66 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLN . 49.3 t -63.44 119.07 9.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.21 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -62.08 -40.0 94.34 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.451 -0.78 . . . . 0.0 110.458 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' H ' HG12 ' A' ' 27' ' ' VAL . 9.4 m120 -74.43 -40.07 62.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.879 -1.138 . . . . 0.0 111.99 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.1 p -128.57 12.7 6.42 Favored 'General case' 0 N--CA 1.514 2.772 0 O-C-N 120.46 -1.4 . . . . 0.0 112.452 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.6 mt-30 56.36 1.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -63.07 150.57 42.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.72 -1.863 . . . . 0.0 107.526 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -107.87 -10.01 15.62 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -99.32 122.41 42.43 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.452 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.9 p -146.23 149.42 33.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.225 -0.922 . . . . 0.0 109.113 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -72.81 -39.85 66.3 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.629 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.4 tp -145.13 132.2 20.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CZ3' HG21 ' A' ' 15' ' ' THR . 70.6 m95 -78.83 129.11 34.23 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.626 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.629 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.1 mmt-85 -117.98 129.87 55.85 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.821 -0.549 . . . . 0.0 109.905 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 147.66 30.03 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 158.77 40.55 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 120.871 -1.143 . . . . 0.0 109.006 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -53.13 -18.33 9.83 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.036 1.157 . . . . 0.0 111.577 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 94.1 mmm -92.7 -13.66 29.08 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.519 -0.738 . . . . 0.0 109.948 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.28 21.82 14.3 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -102.62 131.51 22.29 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.094 -1.239 . . . . 0.0 110.039 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -64.64 129.17 22.86 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 CA-C-N 120.163 1.094 . . . . 0.0 112.041 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 9' ' ' ASN . 3.9 m -133.1 159.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.436 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 p -82.23 152.64 26.3 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.047 -1.033 . . . . 0.0 108.339 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.84 -30.3 9.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.246 -0.909 . . . . 0.0 111.393 -176.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -71.95 -51.63 21.11 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.732 -1.23 . . . . 0.0 110.049 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.6 m -59.39 -41.8 90.24 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.862 -1.149 . . . . 0.0 109.674 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.49 72.44 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 118.72 -1.705 . . . . 0.0 109.702 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 37' ' ' LEU . 69.7 mt -73.04 -52.99 12.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -1.132 . . . . 0.0 110.584 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.636 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 48.6 t80 -60.02 -43.82 95.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.5 t80 -63.6 -48.52 77.01 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.906 0.86 . . . . 0.0 109.48 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -60.05 -40.81 90.7 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 120.25 -1.531 . . . . 0.0 109.88 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.6 mp -72.78 -45.01 60.79 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.13 -0.981 . . . . 0.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -108.63 -9.56 15.28 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.928 -1.108 . . . . 0.0 111.78 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' TYR . 25.7 tt0 40.91 51.66 3.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.655 -1.278 . . . . 0.0 111.922 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -150.05 156.28 7.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 17.4 p-10 -85.6 124.34 32.04 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.613 -1.304 . . . . 0.0 110.649 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.642 HH11 ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.0 126.29 57.78 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.285 -0.885 . . . . 0.0 109.346 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 45' ' ' THR . 16.1 Cg_exo -48.42 152.05 4.22 Favored 'Trans proline' 0 N--CA 1.487 1.12 0 CA-C-N 120.086 1.067 . . . . 0.0 111.252 178.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.8 mp -65.65 29.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.376 -0.828 . . . . 0.0 111.084 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.87 -17.93 64.65 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.503 -1.373 . . . . 0.0 110.34 -179.357 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.578 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 89.2 mtp -105.83 -5.38 19.84 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.212 -0.93 . . . . 0.0 111.824 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.654 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.3 mmp_? -82.29 140.49 33.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.6 -1.313 . . . . 0.0 111.356 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -134.72 159.01 42.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -45.35 -83.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.12 -0.988 . . . . 0.0 110.122 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -173.17 16.04 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.19 150.83 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.172 -1.193 . . . . 0.0 109.521 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -79.25 149.73 31.77 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.43 162.61 36.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.65 -1.281 . . . . 0.0 111.25 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -151.73 162.04 41.67 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.534 0.683 . . . . 0.0 110.35 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 49.9 p-10 -50.63 144.97 7.29 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.554 ' CB ' HH11 ' A' ' 56' ' ' ARG . 0.0 OUTLIER -61.54 122.6 15.65 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.237 -0.914 . . . . 0.0 109.965 -178.494 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -61.54 -169.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 109.947 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.488 1.452 0 O-C-N 121.391 -0.818 . . . . 0.0 109.628 -179.592 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.698 0.761 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . 133.4 -22.59 3.93 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.59 -2.204 . . . . 0.0 107.59 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' CH2' ' A' ' 18' ' ' TRP . 13.2 m -47.96 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 15.5 m -63.28 140.26 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 120.105 -1.622 . . . . 0.0 110.976 -177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -60.17 122.89 15.56 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.679 0.752 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -60.1 -40.06 88.32 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.648 -0.657 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.417 HD22 ' HB3' ' A' ' 31' ' ' CYS . 98.8 m-20 -80.28 -38.74 30.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.763 -1.211 . . . . 0.0 112.323 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -130.36 16.89 5.47 Favored 'General case' 0 N--CA 1.511 2.589 0 CA-C-N 120.446 1.475 . . . . 0.0 112.636 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 57.22 -2.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.885 -1.134 . . . . 0.0 113.918 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t -60.06 140.07 57.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.704 -1.873 . . . . 0.0 108.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -103.44 -9.88 19.02 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.3 p -99.33 119.98 38.82 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.481 HG21 ' CH2' ' A' ' 18' ' ' TRP . 3.2 p -147.1 151.23 36.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.262 -0.899 . . . . 0.0 109.518 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 p -75.45 -37.57 60.22 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.898 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.5 tp -147.83 132.58 17.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 5' ' ' THR . 42.1 m95 -81.58 131.68 35.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.035 -1.04 . . . . 0.0 109.976 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.898 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -117.01 123.23 46.39 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -88.8 86.75 7.03 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.006 -1.684 . . . . 0.0 107.887 178.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.76 157.85 0.03 OUTLIER Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 121.615 -0.678 . . . . 0.0 112.213 -177.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -49.14 -9.81 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.747 1.631 . . . . 0.0 113.614 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mtm -99.35 -13.64 19.52 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.076 -1.015 . . . . 0.0 109.919 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 27.22 15.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -105.41 143.64 27.2 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.097 -1.237 . . . . 0.0 108.556 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -74.33 127.22 10.98 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 120.758 0.972 . . . . 0.0 113.305 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.35 156.66 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 O-C-N 121.282 -0.886 . . . . 0.0 108.689 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -81.47 151.86 27.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.617 -1.302 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.594 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.2 OUTLIER -46.81 -32.93 4.03 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.525 -0.734 . . . . 0.0 111.952 -177.147 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.38 -47.98 37.74 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 120.516 -1.365 . . . . 0.0 110.798 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 9' ' ' ASN . 28.6 m -58.69 -41.94 87.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.84 -1.162 . . . . 0.0 110.605 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.59 -46.18 94.4 Favored Glycine 0 N--CA 1.486 1.995 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.332 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -49.45 58.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.082 -1.246 . . . . 0.0 109.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 31.4 t80 -60.03 -45.48 92.66 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.888 -1.132 . . . . 0.0 109.878 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.2 -46.86 85.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.4 -0.812 . . . . 0.0 110.642 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.08 -42.22 94.16 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.16 -1.588 . . . . 0.0 110.766 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.57 -40.06 73.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.855 -1.153 . . . . 0.0 111.579 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -113.62 -9.86 13.18 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.924 -1.11 . . . . 0.0 112.091 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 tt0 41.18 54.8 3.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.578 -1.326 . . . . 0.0 111.685 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.9 154.17 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.091 . . . . 0.0 109.138 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -100.5 134.64 20.52 Favored Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.274 -0.891 . . . . 0.0 109.824 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 45' ' ' THR . 12.2 Cg_exo -48.47 152.04 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 CA-C-N 119.94 1.014 . . . . 0.0 112.05 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.62 18.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.363 -0.835 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.545 ' H ' ' C ' ' A' ' 43' ' ' PRO . 32.6 p -67.13 -15.93 64.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.637 -1.289 . . . . 0.0 109.648 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.58 -5.28 39.56 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.116 -0.99 . . . . 0.0 109.552 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -80.35 126.39 31.1 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.813 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 19.2 ttmm -125.17 138.61 54.14 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 65.8 t0 -40.21 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.205 -0.934 . . . . 0.0 110.679 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.48 -175.02 21.69 Favored Glycine 0 N--CA 1.494 2.554 0 O-C-N 120.953 -1.092 . . . . 0.0 110.572 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.57 139.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -1.087 . . . . 0.0 108.986 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.59 149.1 44.27 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.81 46.38 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.746 -1.221 . . . . 0.0 110.54 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' A' ' 54' ' ' ARG . 24.6 mmm-85 -145.81 167.44 23.19 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.521 0.677 . . . . 0.0 109.726 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.98 136.06 57.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 0.0 108.804 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -59.09 130.0 44.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 111.268 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 57' ' ' LYS . 50.8 pttt -64.58 -169.68 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.77 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.307 -0.871 . . . . 0.0 109.5 -179.691 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.152 0.501 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.19 -9.98 65.03 Favored Glycine 0 N--CA 1.496 2.643 0 O-C-N 121.202 -0.936 . . . . 0.0 111.378 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -66.58 115.38 6.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.774 -1.427 . . . . 0.0 110.505 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.39 140.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -61.88 117.06 5.4 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.856 -1.152 . . . . 0.0 110.888 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.23 -40.0 88.69 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.812 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.439 ' OD1' HG11 ' A' ' 27' ' ' VAL . 9.9 m120 -74.52 -39.88 62.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.916 -1.115 . . . . 0.0 112.016 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.3 p -130.29 15.59 5.58 Favored 'General case' 0 N--CA 1.509 2.524 0 O-C-N 120.677 -1.264 . . . . 0.0 112.935 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' CYS . 66.2 mt-30 57.21 -1.79 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.774 -1.204 . . . . 0.0 113.157 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -62.4 151.99 35.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 119.918 -1.739 . . . . 0.0 108.982 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -127.92 6.21 6.03 Favored 'General case' 0 N--CA 1.511 2.617 0 O-C-N 121.052 -1.03 . . . . 0.0 109.215 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.703 ' O ' HD11 ' A' ' 51' ' ' ILE . 10.1 p -105.37 49.84 0.8 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.27 -0.893 . . . . 0.0 108.749 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.522 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -79.36 148.18 32.13 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.339 -0.851 . . . . 0.0 111.993 -176.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.5 p -76.62 -39.88 51.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.9 tp -145.26 132.37 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.3 m95 -81.18 130.31 34.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.0 110.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.748 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.1 mmt180 -117.5 122.49 43.87 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 0.0 108.992 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -70.04 141.25 52.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 119.934 -1.729 . . . . 0.0 106.508 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -86.14 151.58 54.45 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 120.757 -1.214 . . . . 0.0 109.321 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -47.0 -24.67 3.38 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 121.05 1.166 . . . . 0.0 113.055 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 ptm -92.16 -14.64 28.78 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.168 -0.957 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 25.07 8.39 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.12 113.58 62.21 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.263 . . . . 0.0 109.146 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -48.96 135.58 29.25 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.146 1.088 . . . . 0.0 112.868 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.439 HG11 ' OD1' ' A' ' 9' ' ' ASN . 4.4 m -138.88 160.13 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.3 153.2 25.96 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.748 ' ND2' HH21 ' A' ' 19' ' ' ARG . 20.7 t-20 -38.58 -43.66 0.89 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.768 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -47.59 48.26 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.783 -1.198 . . . . 0.0 112.184 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.59 -46.13 91.16 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.442 -1.411 . . . . 0.0 109.582 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.78 -54.73 31.4 Favored Glycine 0 N--CA 1.485 1.966 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.317 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.75 -47.09 82.41 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.16 -1.2 . . . . 0.0 110.069 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.99 -45.17 93.61 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.596 -1.315 . . . . 0.0 110.323 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLN . 13.6 t80 -66.08 -46.91 76.02 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.729 0.776 . . . . 0.0 110.749 -178.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.04 -40.94 91.1 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 120.048 -1.658 . . . . 0.0 109.898 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -71.04 -40.67 71.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.999 -1.063 . . . . 0.0 111.375 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' O ' HG13 ' A' ' 40' ' ' VAL . 84.8 m-70 -117.82 0.98 12.08 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.936 -1.102 . . . . 0.0 112.065 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' TYR . 23.5 pt20 35.11 41.44 0.07 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.943 -1.098 . . . . 0.0 113.131 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.5 m -140.38 155.46 23.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -85.63 159.31 19.87 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.224 -0.922 . . . . 0.0 108.608 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.589 HH11 ' HG2' ' A' ' 42' ' ' ARG . 1.1 ptt-85 -140.31 151.11 63.49 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 120.714 -1.241 . . . . 0.0 109.071 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -45.35 151.03 1.04 Allowed 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 120.614 0.876 . . . . 0.0 112.116 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.4 mp -79.06 -19.94 50.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.296 -0.878 . . . . 0.0 110.54 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 t -50.97 -7.33 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.09 -1.006 . . . . 0.0 109.693 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' LEU . 24.1 ttt -76.51 -39.47 52.96 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 0.0 110.078 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.625 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -75.7 156.23 34.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.005 -178.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -104.24 -172.47 2.11 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.92 3.82 53.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 108.77 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.39 179.79 29.47 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.703 HD11 ' O ' ' A' ' 14' ' ' THR . 15.9 mt -85.95 139.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.701 -1.47 . . . . 0.0 108.464 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.93 144.2 31.11 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.087 0.946 . . . . 0.0 111.292 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.1 155.75 49.5 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -151.32 163.42 38.94 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -56.29 136.54 53.2 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -66.25 134.55 52.91 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.447 -0.783 . . . . 0.0 110.4 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -65.19 -169.67 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.109 -0.994 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.275 -0.891 . . . . 0.0 109.522 -179.225 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -10.06 62.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 121.179 -0.951 . . . . 0.0 111.273 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.74 111.82 4.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.755 -1.438 . . . . 0.0 110.388 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.82 140.75 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 41.8 t -61.15 118.12 6.42 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.68 -1.262 . . . . 0.0 110.563 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -60.02 -39.96 87.63 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.097 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -77.24 -38.73 50.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.965 -1.084 . . . . 0.0 112.155 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.61 15.82 5.94 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.024 1.284 . . . . 0.0 112.946 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.6 mt-30 55.33 -1.88 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.621 -1.299 . . . . 0.0 113.543 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -62.49 150.35 40.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 119.994 -1.691 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -123.93 4.01 8.72 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.073 -1.017 . . . . 0.0 109.305 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.518 ' O ' HD11 ' A' ' 51' ' ' ILE . 11.1 p -102.76 51.45 0.8 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.375 -0.828 . . . . 0.0 109.895 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.509 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -80.28 145.94 31.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 0.0 111.632 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -74.35 -39.92 62.47 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.666 HD23 ' NH1' ' A' ' 19' ' ' ARG . 5.1 tp -144.28 131.92 21.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.7 m95 -79.24 129.96 34.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.024 -1.047 . . . . 0.0 110.534 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.666 ' NH1' HD23 ' A' ' 17' ' ' LEU . 6.4 mmt-85 -120.11 132.4 55.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.788 -0.57 . . . . 0.0 110.717 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -83.44 145.99 28.66 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.502 -1.374 . . . . 0.0 107.574 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 162.51 28.62 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.036 -1.04 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -50.9 -24.57 14.0 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.179 1.253 . . . . 0.0 113.304 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.14 -6.15 45.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.003 -1.061 . . . . 0.0 109.436 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.38 28.07 18.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -100.13 115.25 65.68 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.147 -1.208 . . . . 0.0 109.724 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -51.25 122.61 10.38 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.191 1.104 . . . . 0.0 112.286 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.99 160.02 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 O-C-N 121.609 -0.682 . . . . 0.0 110.087 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 20.9 p -81.38 154.08 26.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 108.773 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -49.71 -29.93 8.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.157 -0.964 . . . . 0.0 111.749 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 47' ' ' ARG . . . -74.91 -50.95 15.1 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.493 -1.38 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m -58.19 -44.65 88.18 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.535 -1.353 . . . . 0.0 109.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.9 -49.3 67.38 Favored Glycine 0 C--N 1.291 -1.941 0 C-N-CA 119.391 -1.385 . . . . 0.0 110.202 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.71 -48.96 62.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.105 -1.232 . . . . 0.0 109.607 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' OH ' ' NE ' ' A' ' 42' ' ' ARG . 64.4 t80 -60.03 -48.21 82.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.179 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.659 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.4 t80 -60.54 -46.07 91.52 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.739 0.781 . . . . 0.0 110.489 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.0 -40.77 90.36 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 120.1 -1.625 . . . . 0.0 110.093 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.55 -48.27 49.66 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.128 -0.982 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.68 -10.97 15.95 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.068 -1.02 . . . . 0.0 112.27 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.659 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.0 tt0 44.48 51.13 7.98 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.373 -1.454 . . . . 0.0 111.931 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.96 153.88 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 120.843 -1.16 . . . . 0.0 108.472 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 25.9 p30 -84.53 135.48 34.2 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -123.55 128.2 25.28 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.011 -1.055 . . . . 0.0 110.016 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.31 152.47 0.17 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.299 1.333 . . . . 0.0 114.086 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.4 mp -63.98 -9.99 18.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.811 -0.556 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' LEU . 44.4 p -45.12 -21.61 0.08 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.871 -1.143 . . . . 0.0 109.548 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.4 ttt -77.47 -42.71 34.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.481 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 30' ' ' ALA . 26.1 mtt-85 -80.82 162.94 23.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 110.368 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -116.42 -160.14 0.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.494 0.664 . . . . 0.0 109.887 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.3 3.98 54.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.432 -0.792 . . . . 0.0 109.654 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.65 179.72 29.73 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 108.784 -1.727 . . . . 0.0 108.784 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 14' ' ' THR . 4.6 mt -87.15 132.75 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.866 -1.373 . . . . 0.0 108.7 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 142.32 48.24 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.537 -0.727 . . . . 0.0 109.543 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 158.45 44.32 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.565 -1.334 . . . . 0.0 109.708 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 54' ' ' ARG . 0.3 OUTLIER -146.34 163.66 34.84 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.777 0.799 . . . . 0.0 110.383 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -55.23 139.29 42.77 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -58.37 123.17 15.21 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.542 -0.724 . . . . 0.0 109.696 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.8 -173.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.514 -0.741 . . . . 0.0 110.326 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.301 -1.532 0 O-C-N 121.607 -0.683 . . . . 0.0 109.201 179.808 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.304 0.573 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.69 -11.62 55.7 Favored Glycine 0 N--CA 1.499 2.871 0 O-C-N 121.257 -0.902 . . . . 0.0 111.874 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -64.12 116.41 5.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.561 -1.553 . . . . 0.0 110.025 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -121.95 142.26 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 12' ' ' THR . 20.0 t -60.51 116.78 4.58 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.703 -1.248 . . . . 0.0 110.751 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.669 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -79.17 -38.12 36.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 112.625 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.546 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.2 p -129.21 5.53 5.29 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 121.057 1.753 . . . . 0.0 113.68 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 57.05 46.21 19.65 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.288 -1.507 . . . . 0.0 112.503 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 13.3 t -101.85 148.31 25.47 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -120.39 9.8 11.06 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 121.105 1.775 . . . . 0.0 108.715 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 9.5 p -115.36 49.78 1.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.543 -0.723 . . . . 0.0 109.765 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.3 p -77.49 149.75 34.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.03 . . . . 0.0 111.591 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -78.82 -41.12 31.03 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.848 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.6 tp -142.76 131.01 22.07 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CZ3' HG21 ' A' ' 15' ' ' THR . 83.1 m95 -81.49 130.37 35.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.888 -1.133 . . . . 0.0 110.023 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.848 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -114.92 119.23 35.82 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.359 -0.838 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -70.02 142.86 52.7 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 159.83 37.87 Favored Pre-proline 0 N--CA 1.504 2.238 0 O-C-N 120.931 -1.106 . . . . 0.0 110.109 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.03 -21.55 12.66 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.002 1.135 . . . . 0.0 112.372 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.8 mtt -96.04 -12.9 24.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.0 109.915 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.66 26.32 13.5 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 6.0 m-20 -105.4 109.92 63.75 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.046 -1.267 . . . . 0.0 108.741 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.09 129.58 15.41 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 120.9 1.066 . . . . 0.0 113.523 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.81 162.01 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.526 0 O-C-N 121.532 -0.73 . . . . 0.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.4 p -83.67 155.99 22.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.989 -1.069 . . . . 0.0 111.465 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.708 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.6 t-20 -46.58 -33.61 4.28 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.855 -0.528 . . . . 0.0 111.234 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -54.38 7.77 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.907 -1.12 . . . . 0.0 110.738 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -55.83 -45.32 78.4 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.717 -1.239 . . . . 0.0 109.98 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -49.29 55.46 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 118.794 -1.669 . . . . 0.0 110.048 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.82 -49.58 29.48 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 110.223 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 60.8 t80 -59.99 -48.01 83.49 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.615 -1.303 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.1 t80 -61.02 -47.58 85.77 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.548 0.69 . . . . 0.0 109.817 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.01 -42.9 95.3 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.388 -1.445 . . . . 0.0 110.407 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.03 -40.0 75.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.034 -1.041 . . . . 0.0 111.592 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.43 -0.36 11.97 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 121.058 -1.026 . . . . 0.0 112.494 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.2 pt20 36.62 46.39 0.45 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.637 -1.289 . . . . 0.0 113.236 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.0 153.42 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.106 -0.996 . . . . 0.0 108.418 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.2 p30 -86.79 132.29 33.89 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.992 -1.068 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.596 ' NH1' ' CD1' ' A' ' 34' ' ' TYR . 8.7 ptm180 -104.94 150.67 38.97 Favored Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 121.142 -0.974 . . . . 0.0 110.209 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -60.49 151.45 75.01 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 121.371 1.381 . . . . 0.0 112.857 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 10' ' ' CYS . 8.7 mp -72.95 -6.28 44.23 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.52 -0.738 . . . . 0.0 111.283 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 p -54.42 -9.91 0.35 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 109.441 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' LEU . 17.8 ttt -91.79 -21.51 20.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 0.0 110.47 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -76.67 148.15 37.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.036 -1.04 . . . . 0.0 110.157 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -142.05 163.5 32.71 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.194 -0.941 . . . . 0.0 109.791 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.51 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.639 -0.663 . . . . 0.0 112.232 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.33 -171.7 13.06 Favored Glycine 0 N--CA 1.498 2.787 0 O-C-N 121.29 -0.882 . . . . 0.0 111.152 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.8 mt -91.26 147.26 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.645 -0.914 . . . . 0.0 109.758 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.58 144.0 46.2 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.735 . . . . 0.0 110.114 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.82 153.67 48.39 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.778 -1.201 . . . . 0.0 109.962 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.46 162.0 39.92 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.582 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.78 139.32 39.95 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' LYS . 91.9 mtt180 -67.4 134.76 52.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 109.866 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' ARG . 55.2 pttt -55.33 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.155 -0.965 . . . . 0.0 109.849 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.252 -0.905 . . . . 0.0 108.56 179.699 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.274 0.559 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 -12.8 39.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.57 119.97 9.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.115 -1.226 . . . . 0.0 110.739 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -122.51 141.69 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.9 t -66.86 118.27 10.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.47 -1.394 . . . . 0.0 110.803 -179.363 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.673 -0.642 . . . . 0.0 110.322 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' H ' HG12 ' A' ' 27' ' ' VAL . 8.7 m120 -75.97 -39.25 56.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.967 -1.083 . . . . 0.0 112.897 -177.466 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 p -129.27 15.18 6.16 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.597 1.544 . . . . 0.0 111.922 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 26.1 mp0 56.85 2.0 0.09 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.947 -1.095 . . . . 0.0 113.392 177.109 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -64.41 149.96 47.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.943 -1.723 . . . . 0.0 108.845 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -111.02 -3.82 15.37 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.236 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 p -107.23 122.26 46.18 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.404 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -146.61 149.5 33.65 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.095 -1.003 . . . . 0.0 109.829 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.942 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.1 tp -146.51 131.45 18.15 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.044 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CZ3' HG21 ' A' ' 15' ' ' THR . 86.6 m95 -81.96 129.95 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.744 -1.223 . . . . 0.0 109.239 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.942 ' NH1' HD23 ' A' ' 17' ' ' LEU . 15.2 mmt180 -112.89 119.06 36.65 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.241 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 21' ' ' SER . 19.7 mmt180 -87.42 87.01 7.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.207 -1.558 . . . . 0.0 109.427 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -34.04 157.68 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.741 -0.599 . . . . 0.0 111.048 -178.777 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -57.08 -5.92 1.62 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.098 1.199 . . . . 0.0 112.773 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 tpp -95.7 -16.21 22.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.184 -0.948 . . . . 0.0 108.651 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.21 24.57 18.94 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.01 133.52 20.2 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 120.922 -1.34 . . . . 0.0 108.731 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.79 133.52 23.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 119.811 0.968 . . . . 0.0 113.411 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 9' ' ' ASN . 3.6 m -139.77 160.3 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 O-C-N 121.47 -0.769 . . . . 0.0 109.126 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.11 154.61 24.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.597 -1.314 . . . . 0.0 109.298 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.734 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.3 t-20 -49.74 -32.68 14.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.254 -0.904 . . . . 0.0 110.721 -177.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -54.24 14.64 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.53 -1.356 . . . . 0.0 110.094 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.4 m -57.81 -45.54 85.97 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.884 -1.135 . . . . 0.0 109.761 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.0 47.13 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.333 -1.413 . . . . 0.0 110.177 -178.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' OD1' ' A' ' 29' ' ' ASN . 49.7 mt -68.13 -49.43 61.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -1.181 . . . . 0.0 110.38 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' CB ' ' NH1' ' A' ' 42' ' ' ARG . 22.0 t80 -60.18 -42.62 95.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.471 -1.393 . . . . 0.0 109.598 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.624 ' O ' ' N ' ' A' ' 39' ' ' GLN . 31.4 t80 -63.99 -49.96 70.42 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.638 0.732 . . . . 0.0 110.211 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.92 -39.92 87.09 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.257 -1.527 . . . . 0.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.04 -49.43 77.7 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.42 -1.425 . . . . 0.0 108.217 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 72.0 m-70 -101.58 -71.36 0.72 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.4 tt0 110.04 56.85 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.029 0 CA-C-O 122.015 0.912 . . . . 0.0 108.962 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.0 159.69 4.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 52.3 p-10 -75.66 151.12 37.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.909 -1.119 . . . . 0.0 109.43 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 34' ' ' TYR . 10.8 ptm180 -123.95 151.27 64.7 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.007 -1.058 . . . . 0.0 109.663 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.1 Cg_endo -61.85 150.7 84.96 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 120.822 1.014 . . . . 0.0 112.369 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 44' ' ' LEU . 11.0 mp -69.39 18.96 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.193 -0.942 . . . . 0.0 110.501 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 43' ' ' PRO . 21.2 p -66.09 -16.04 63.6 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.065 -1.022 . . . . 0.0 108.658 179.116 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 85.4 mmm -99.34 -5.1 30.26 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.533 -0.729 . . . . 0.0 109.53 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -80.57 125.47 30.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 110.828 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' ASP . 86.1 tttt -127.54 146.02 50.66 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' LYS . 21.7 t70 -41.79 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 110.62 -179.002 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.42 -169.96 36.21 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.389 -1.085 . . . . 0.0 110.389 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.92 139.98 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.976 . . . . 0.0 109.99 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.17 155.57 34.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.1 158.99 43.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.039 -1.038 . . . . 0.0 110.226 -179.286 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -151.25 167.32 28.21 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.99 139.04 28.91 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.274 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -71.91 137.07 47.14 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.688 0.756 . . . . 0.0 112.154 -177.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -44.86 157.86 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.746 -0.596 . . . . 0.0 109.447 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.807 -1.183 . . . . 0.0 108.121 179.301 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 -9.42 66.38 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.066 -1.022 . . . . 0.0 110.976 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -69.33 114.8 7.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.815 -1.403 . . . . 0.0 110.33 -179.058 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -118.58 141.76 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.8 t -60.05 118.81 6.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.74 -1.225 . . . . 0.0 111.216 -178.384 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.211 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.26 -38.91 55.6 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 120.985 -1.072 . . . . 0.0 111.825 -178.135 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -130.74 10.59 5.12 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.264 1.393 . . . . 0.0 112.975 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.0 mt-30 61.47 4.49 0.99 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 175.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -65.46 163.47 15.79 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.953 -1.717 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -135.37 15.74 3.44 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.027 178.931 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 28.0 p -120.36 48.48 1.58 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-O 121.882 0.848 . . . . 0.0 108.95 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.504 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -75.11 150.01 38.92 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 121.142 -0.974 . . . . 0.0 112.289 -176.43 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -75.0 -43.36 54.33 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 5.6 tp -144.21 130.94 20.17 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ3' HG21 ' A' ' 15' ' ' THR . 82.1 m95 -79.85 129.94 34.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 0.0 109.95 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.616 ' CZ ' HD23 ' A' ' 17' ' ' LEU . 23.4 mmt180 -117.92 122.48 43.39 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 0.0 108.94 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -71.91 142.42 49.48 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 119.656 -1.903 . . . . 0.0 107.595 178.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -90.4 156.68 45.54 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.178 -0.951 . . . . 0.0 108.946 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -49.07 -22.79 5.5 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.037 1.158 . . . . 0.0 112.977 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.9 tpp -92.64 -10.22 38.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 109.606 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.9 26.42 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.3 m-20 -101.32 112.67 65.4 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.476 -1.014 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -50.4 139.11 37.69 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 CA-C-N 120.215 1.112 . . . . 0.0 113.209 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.5 m -139.8 161.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.37 0 O-C-N 121.472 -0.767 . . . . 0.0 109.651 178.43 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.49 154.69 23.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.881 -1.137 . . . . 0.0 109.577 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.808 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.1 OUTLIER -43.34 -40.79 3.77 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.798 -0.564 . . . . 0.0 112.178 -178.019 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.24 42.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.486 -1.384 . . . . 0.0 111.95 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 m -57.8 -43.36 85.61 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.646 -1.284 . . . . 0.0 110.514 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.0 -49.48 66.83 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 119.439 -1.363 . . . . 0.0 110.152 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.93 -48.12 69.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.276 -1.132 . . . . 0.0 110.184 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.807 -1.183 . . . . 0.0 108.836 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.6 t80 -68.17 -50.22 55.9 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.71 -0.619 . . . . 0.0 111.499 -178.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG3' HD12 ' A' ' 37' ' ' LEU . 50.4 pttt -60.52 -39.67 88.64 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 119.774 -1.829 . . . . 0.0 110.116 -178.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 36' ' ' LYS . 7.7 mp -64.31 -42.01 96.56 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.013 -1.054 . . . . 0.0 111.784 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -123.02 -3.52 8.58 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.95 -1.094 . . . . 0.0 111.545 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.7 tt0 42.38 56.44 3.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.539 -1.351 . . . . 0.0 111.633 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.39 153.1 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.46 129.55 34.82 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.121 -0.987 . . . . 0.0 110.532 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 42' ' ' ARG . 3.8 ttt-85 -104.45 133.17 20.34 Favored Pre-proline 0 N--CA 1.503 2.189 0 O-C-N 121.27 -0.894 . . . . 0.0 109.421 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.5 Cg_exo -48.35 152.46 3.79 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 120.954 1.103 . . . . 0.0 114.013 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.5 mp -60.9 5.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.753 -0.592 . . . . 0.0 110.428 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PRO . 64.5 p -60.91 -14.53 22.94 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 109.077 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.9 ttt -100.0 -7.78 24.68 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.576 -0.703 . . . . 0.0 109.343 -179.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -78.4 132.39 37.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.409 -0.807 . . . . 0.0 110.712 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -124.23 139.89 53.49 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -43.57 -86.29 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.119 -0.988 . . . . 0.0 110.32 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.95 -174.14 21.42 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 14' ' ' THR . 2.8 mt -91.07 142.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.262 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.97 153.79 30.07 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 165.22 27.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.979 -1.075 . . . . 0.0 111.165 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -149.57 163.15 38.64 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.995 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.87 138.79 57.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.26 -0.9 . . . . 0.0 108.808 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.81 130.33 43.74 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.354 -0.842 . . . . 0.0 110.36 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -58.73 -173.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.404 -0.81 . . . . 0.0 109.587 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--N 1.302 -1.484 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.682 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.222 0.534 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.36 -8.87 69.33 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 178.554 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.28 117.76 9.01 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.837 -1.39 . . . . 0.0 110.914 -178.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.62 140.76 43.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.1 t -63.91 117.59 7.2 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.367 -1.458 . . . . 0.0 109.339 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -60.89 -40.0 91.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.321 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.445 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -73.55 -39.22 64.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.005 -178.207 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.33 14.64 6.12 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.003 1.274 . . . . 0.0 112.23 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.4 mm-40 55.08 -0.34 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.874 -1.141 . . . . 0.0 113.097 177.302 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -60.45 145.25 48.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 119.958 -1.714 . . . . 0.0 107.963 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.18 -6.9 15.4 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.377 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -101.77 120.13 39.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.144 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.436 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.5 p -144.49 146.96 32.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.127 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -73.2 -39.97 65.13 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.453 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.9 tp -144.62 131.84 20.62 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.068 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ3' HG21 ' A' ' 15' ' ' THR . 74.8 m95 -79.6 130.41 35.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.005 -1.059 . . . . 0.0 110.146 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 21.7 mmt180 -111.73 179.66 3.95 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.41 -0.806 . . . . 0.0 109.655 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -130.82 140.13 50.24 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.363 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 159.81 36.64 Favored Pre-proline 0 N--CA 1.504 2.242 0 O-C-N 120.828 -1.17 . . . . 0.0 109.376 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -53.94 -13.36 4.4 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 120.957 1.104 . . . . 0.0 112.089 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.5 ttm -98.85 -11.34 21.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.427 -0.796 . . . . 0.0 109.66 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.74 27.87 15.74 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.5 m-20 -102.25 114.01 65.63 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.196 -1.179 . . . . 0.0 109.258 179.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -48.95 137.04 28.71 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 CA-C-N 120.041 1.05 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.9 m -140.89 159.8 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.505 -0.747 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 p -84.14 155.26 22.68 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.795 -1.19 . . . . 0.0 110.032 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.693 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.1 OUTLIER -45.04 -35.06 2.78 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.353 -0.842 . . . . 0.0 111.412 -178.042 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.22 16.93 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.855 -1.153 . . . . 0.0 111.555 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' HD22 ' A' ' 9' ' ' ASN . 39.5 m -57.84 -41.56 82.57 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.577 -1.327 . . . . 0.0 110.549 -178.742 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.94 73.12 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 119.069 -1.538 . . . . 0.0 110.677 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 HD22 ' A' ' 29' ' ' ASN . 26.9 mt -68.9 -45.43 70.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.983 -1.304 . . . . 0.0 109.563 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.0 -49.33 78.11 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.942 -1.099 . . . . 0.0 108.939 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.6 t80 -64.18 -47.78 78.51 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.532 0.682 . . . . 0.0 110.539 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.93 -41.85 92.7 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.215 -1.553 . . . . 0.0 110.025 -178.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.15 -39.94 75.07 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.163 -0.96 . . . . 0.0 111.684 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' VAL . 88.7 m-70 -121.54 5.35 10.11 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.943 -1.098 . . . . 0.0 112.286 -178.177 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER 30.41 48.72 0.06 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.045 -1.034 . . . . 0.0 113.44 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 38' ' ' HIS . 12.1 m -141.95 150.73 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 108.814 178.124 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.07 135.31 34.46 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.852 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.21 149.99 50.52 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.912 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -43.4 152.7 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.159 1.24 . . . . 0.0 113.172 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.0 mp -82.16 4.39 23.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 109.678 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 p -55.03 -6.43 0.13 Allowed 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.549 -0.719 . . . . 0.0 109.526 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -90.43 -18.22 25.8 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.174 -0.954 . . . . 0.0 110.686 -179.532 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.49 137.7 36.49 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.871 -1.143 . . . . 0.0 111.203 -178.805 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.4 mtpt -128.67 151.31 49.66 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -52.23 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 112.255 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.78 175.28 32.15 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 120.363 -1.461 . . . . 0.0 110.228 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.32 134.39 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.291 . . . . 0.0 108.018 178.06 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.95 148.69 48.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.78 155.02 48.52 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.727 -1.233 . . . . 0.0 110.273 -179.47 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -150.94 165.71 32.85 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.227 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -52.89 139.44 27.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -62.43 130.02 43.3 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.822 0.82 . . . . 0.0 112.079 -177.364 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -43.64 162.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.869 -0.52 . . . . 0.0 109.68 178.77 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.488 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.284 0.564 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.32 -22.64 6.03 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.363 -0.836 . . . . 0.0 112.152 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -68.57 113.64 6.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.566 -1.55 . . . . 0.0 110.754 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -119.22 141.14 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.522 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 46.2 t -63.62 119.19 9.39 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.774 -1.204 . . . . 0.0 110.505 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -59.98 -40.02 87.69 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.706 -0.621 . . . . 0.0 110.399 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' HG11 ' A' ' 27' ' ' VAL . 15.9 m120 -74.67 -39.8 61.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.849 -1.157 . . . . 0.0 112.148 -177.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.9 p -130.1 9.47 5.28 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.638 -1.289 . . . . 0.0 112.355 -178.309 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 18.2 tt0 61.66 0.03 0.45 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.573 -1.329 . . . . 0.0 112.498 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -61.25 142.35 56.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 119.756 -1.84 . . . . 0.0 108.739 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -105.11 -8.6 18.33 Favored 'General case' 0 N--CA 1.508 2.449 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.0 p -100.78 121.18 41.25 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.408 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -147.16 150.85 35.76 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.069 -1.019 . . . . 0.0 109.974 -179.08 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -77.43 -39.07 48.16 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 177.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.8 tp -146.7 131.59 18.1 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.45 -0.782 . . . . 0.0 108.983 178.476 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.408 ' CZ3' HG21 ' A' ' 15' ' ' THR . 78.1 m95 -80.3 129.47 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.757 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.5 mmt180 -115.25 119.11 35.23 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.053 -1.029 . . . . 0.0 109.334 -179.214 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.26 141.08 55.99 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.065 -1.647 . . . . 0.0 106.648 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.66 156.19 45.22 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.0 -1.063 . . . . 0.0 109.262 -179.351 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.01 -22.15 7.32 Favored 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 120.766 0.977 . . . . 0.0 112.637 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmt -91.43 -10.61 40.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.106 -0.996 . . . . 0.0 110.06 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.21 30.74 10.52 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -110.11 112.16 57.73 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.399 -1.059 . . . . 0.0 109.451 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.92 133.28 39.83 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 CA-C-N 120.093 1.069 . . . . 0.0 113.303 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' ARG . 8.1 m -136.42 160.16 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.419 0 O-C-N 121.681 -0.637 . . . . 0.0 109.483 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.71 155.75 24.14 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.945 -1.097 . . . . 0.0 109.6 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.757 ' ND2' HH21 ' A' ' 19' ' ' ARG . 30.2 t-20 -45.44 -41.82 9.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.589 -0.694 . . . . 0.0 111.425 -178.391 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.43 29.32 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.824 -1.173 . . . . 0.0 110.927 -178.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -58.49 -43.31 88.96 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.804 -1.185 . . . . 0.0 109.954 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.06 20.4 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.339 -1.41 . . . . 0.0 110.07 -178.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.53 -50.37 71.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.512 -0.993 . . . . 0.0 111.336 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -60.75 -43.53 97.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.775 -1.203 . . . . 0.0 109.871 -179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.2 t80 -61.69 -48.85 78.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.139 -0.976 . . . . 0.0 109.538 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -43.31 95.1 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 120.015 -1.678 . . . . 0.0 110.108 -179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.78 -42.02 70.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.981 -1.074 . . . . 0.0 111.553 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -112.96 -13.81 13.08 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.978 -1.076 . . . . 0.0 111.847 -177.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' TYR . 40.2 tt0 44.72 58.34 3.99 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.532 -1.355 . . . . 0.0 111.715 179.15 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.69 149.81 13.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.77 137.75 32.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.308 -0.87 . . . . 0.0 108.796 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -120.54 151.3 53.81 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -178.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.0 Cg_endo -62.45 152.86 74.71 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 121.472 1.448 . . . . 0.0 113.66 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 HH11 ' A' ' 47' ' ' ARG . 11.0 mp -65.0 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.519 -0.738 . . . . 0.0 111.096 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.2 t -69.91 -17.42 63.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.884 -1.135 . . . . 0.0 109.298 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -100.15 -2.3 34.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.17 -0.956 . . . . 0.0 109.499 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.574 HH11 HD23 ' A' ' 44' ' ' LEU . 73.5 ttt180 -77.69 129.57 35.7 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.427 -0.795 . . . . 0.0 110.404 -179.063 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -130.5 155.49 46.39 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.67 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.82 -1.175 . . . . 0.0 110.794 -178.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.13 -171.82 35.9 Favored Glycine 0 N--CA 1.497 2.722 0 O-C-N 120.934 -1.104 . . . . 0.0 111.164 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.98 146.13 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.546 -0.973 . . . . 0.0 109.346 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.4 155.7 27.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.512 -0.742 . . . . 0.0 109.225 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.19 158.52 44.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 109.706 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 54' ' ' ARG . 3.2 tpm_? -149.93 155.63 40.32 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -55.42 138.38 46.15 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.044 -1.035 . . . . 0.0 108.48 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.92 129.49 41.18 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.306 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.1 -171.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.834 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 -179.785 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.365 0.602 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -10.13 51.69 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -66.19 118.53 10.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.913 -1.345 . . . . 0.0 110.095 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -119.13 137.75 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.1 119.42 7.8 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.664 -1.273 . . . . 0.0 110.063 -179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -59.96 -40.03 87.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.726 -0.609 . . . . 0.0 110.289 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.401 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.5 m-20 -76.76 -39.48 51.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 113.142 -177.254 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.53 11.28 5.76 Favored 'General case' 0 N--CA 1.509 2.499 0 CA-C-N 120.357 1.435 . . . . 0.0 111.881 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 59.76 0.41 0.24 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 112.987 177.381 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -60.34 142.25 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.032 -1.668 . . . . 0.0 107.961 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -106.12 -9.16 17.09 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -99.34 119.69 38.36 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.168 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.446 HG21 ' CH2' ' A' ' 18' ' ' TRP . 5.8 p -143.75 146.35 33.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 109.488 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 p -77.35 -40.61 43.41 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.4 tp -144.46 128.31 17.36 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.679 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 15' ' ' THR . 88.5 m95 -79.81 130.57 35.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.776 -1.203 . . . . 0.0 109.552 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -115.34 119.16 35.35 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.171 -0.955 . . . . 0.0 109.891 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.46 141.94 53.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 119.881 -1.762 . . . . 0.0 106.733 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 159.17 38.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 -178.753 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.59 -23.7 15.53 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.678 1.585 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.14 -11.75 29.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.264 -0.898 . . . . 0.0 109.111 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.73 32.92 7.73 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -109.89 110.92 58.91 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.126 -1.22 . . . . 0.0 109.385 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.23 130.28 24.2 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 120.766 0.977 . . . . 0.0 113.663 -179.251 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.6 m -134.57 161.19 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.757 -0.589 . . . . 0.0 109.672 178.511 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.89 157.83 22.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.892 -1.13 . . . . 0.0 110.372 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.672 ' ND2' HH21 ' A' ' 19' ' ' ARG . 40.9 t-20 -48.56 -33.98 10.63 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.38 -0.825 . . . . 0.0 111.762 -177.628 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.42 -52.04 15.13 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.391 -1.443 . . . . 0.0 111.013 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.3 m -57.06 -46.24 82.61 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.75 -50.1 55.46 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.465 -1.35 . . . . 0.0 110.557 -177.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -70.04 -47.99 59.75 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.214 -1.168 . . . . 0.0 110.781 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.14 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.726 -1.234 . . . . 0.0 109.446 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.3 t80 -64.99 -46.91 79.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.516 0.674 . . . . 0.0 111.102 -178.604 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -58.79 -43.33 90.47 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.109 -1.619 . . . . 0.0 111.157 -178.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.97 -40.43 75.37 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.913 -1.117 . . . . 0.0 111.819 -178.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.494 ' O ' HG13 ' A' ' 40' ' ' VAL . 60.4 m-70 -117.8 3.96 12.24 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.032 -1.043 . . . . 0.0 111.843 -177.551 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.631 ' N ' ' O ' ' A' ' 35' ' ' TYR . 20.3 pt20 32.27 43.54 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.936 -1.102 . . . . 0.0 113.227 178.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.0 m -139.55 154.57 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 108.815 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -85.31 150.16 24.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.778 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.16 150.27 73.72 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 120.953 -1.092 . . . . 0.0 109.892 -178.941 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' THR . 17.3 Cg_exo -46.47 153.14 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.092 1.195 . . . . 0.0 113.702 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' HE ' ' A' ' 47' ' ' ARG . 11.1 mp -75.79 31.78 0.11 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.515 -0.741 . . . . 0.0 109.376 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' PRO . 11.5 t -66.84 -12.43 59.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.0 110.201 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.7 mtt -99.31 -17.6 17.97 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.965 -1.084 . . . . 0.0 110.271 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.49 HH22 ' NE ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -81.19 129.28 34.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.079 -1.013 . . . . 0.0 111.312 -178.371 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 17.4 tptp -130.36 -140.24 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' LYS . 21.8 m-20 -93.34 -87.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.103 -0.998 . . . . 0.0 109.068 179.011 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.36 -166.67 29.83 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.94 136.8 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.486 -1.008 . . . . 0.0 110.237 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -72.72 150.01 43.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 158.07 45.12 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.559 -1.338 . . . . 0.0 110.68 -179.075 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -145.57 162.5 37.3 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.878 0.847 . . . . 0.0 110.125 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.36 141.36 56.37 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.546 0.689 . . . . 0.0 110.467 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -66.96 130.43 43.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.021 179.808 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HD2' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -54.78 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.794 . . . . 0.0 109.694 179.037 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.304 -1.397 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.655 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.323 0.582 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -4.54 83.29 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.333 -0.854 . . . . 0.0 111.356 178.16 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -67.42 119.2 11.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.921 -1.34 . . . . 0.0 111.384 -178.368 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 m -121.05 141.57 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -63.68 119.66 10.32 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.51 -1.369 . . . . 0.0 110.93 -178.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -60.02 -39.17 84.92 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.809 -0.557 . . . . 0.0 109.735 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' OD1' HG11 ' A' ' 27' ' ' VAL . 11.6 m120 -76.63 -39.35 52.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.951 -1.093 . . . . 0.0 112.257 -178.088 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 p -130.18 13.34 5.64 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 120.278 1.399 . . . . 0.0 112.519 -178.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.7 mp0 56.92 2.07 0.1 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.879 -1.138 . . . . 0.0 113.71 176.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -61.72 158.63 15.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 119.999 -1.688 . . . . 0.0 107.837 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 p -135.54 16.22 3.39 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 120.901 -1.125 . . . . 0.0 109.011 178.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.5 p -117.33 48.96 1.25 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.463 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -80.06 150.62 30.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.053 -1.03 . . . . 0.0 111.143 -176.629 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.47 HG22 HG21 ' A' ' 51' ' ' ILE . 41.5 p -79.96 -34.84 38.37 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 177.448 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.758 HD23 ' NH1' ' A' ' 19' ' ' ARG . 3.9 tp -142.91 130.44 21.23 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CZ3' HG21 ' A' ' 15' ' ' THR . 54.3 m95 -83.11 126.95 33.14 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.985 -1.072 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.758 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.5 mmt-85 -115.62 125.88 53.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.78 -179.293 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -79.23 143.61 35.15 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.277 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 155.26 44.04 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 120.969 -1.082 . . . . 0.0 109.888 -178.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -48.91 -25.05 8.04 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.209 1.273 . . . . 0.0 113.089 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mtp -90.89 -12.63 35.58 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.193 -0.942 . . . . 0.0 109.641 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.91 24.16 13.74 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.88 114.44 65.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.277 -1.131 . . . . 0.0 109.093 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -49.35 131.4 27.16 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 CA-C-N 120.125 1.08 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.497 HG11 ' OD1' ' A' ' 9' ' ' ASN . 5.4 m -138.28 159.28 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.24 -0.913 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.62 154.72 26.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -49.67 -35.94 23.27 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.12 -0.987 . . . . 0.0 110.287 -177.167 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -58.82 5.16 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.146 -0.971 . . . . 0.0 110.913 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.8 m -55.09 -42.84 73.36 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.773 -1.204 . . . . 0.0 109.777 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.76 -44.27 91.74 Favored Glycine 0 C--N 1.29 -2.0 0 C-N-CA 118.991 -1.576 . . . . 0.0 109.852 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -72.03 -53.26 13.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -1.174 . . . . 0.0 110.579 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.94 -46.62 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.991 -1.068 . . . . 0.0 109.629 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.0 t80 -60.02 -44.18 94.78 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 109.739 -178.81 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.05 -43.47 95.35 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.292 -1.505 . . . . 0.0 109.386 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -72.28 -41.74 66.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 111.928 -179.282 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -113.6 -8.55 13.3 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.887 -1.133 . . . . 0.0 112.202 -176.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.623 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.4 pt20 38.53 50.3 1.53 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.563 -1.336 . . . . 0.0 112.847 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -142.51 150.41 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 31.4 p-10 -86.44 134.78 33.67 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.119 -0.988 . . . . 0.0 109.541 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' A' ' 42' ' ' ARG . 11.5 mmm-85 -111.42 151.49 43.28 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.254 -0.904 . . . . 0.0 108.93 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.1 Cg_endo -60.7 153.61 60.92 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 121.67 1.58 . . . . 0.0 113.593 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.0 mp -61.65 7.06 0.05 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 110.107 179.5 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 43' ' ' PRO . 24.2 p -63.75 -12.29 33.8 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.94 -1.1 . . . . 0.0 108.793 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -10.48 26.87 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.983 0.896 . . . . 0.0 108.594 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.53 129.11 36.7 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.506 0.67 . . . . 0.0 109.956 -178.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -123.72 137.96 54.61 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -43.5 -87.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 110.546 -178.697 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.6 -177.42 27.44 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -92.78 146.21 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.332 -1.099 . . . . 0.0 110.161 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -81.31 148.28 29.48 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.02 166.91 22.91 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.696 -1.252 . . . . 0.0 109.815 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' HB2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.84 161.42 42.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.409 -0.807 . . . . 0.0 110.668 -178.524 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.68 139.94 52.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.818 . . . . 0.0 109.078 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.521 ' HG2' HH11 ' A' ' 56' ' ' ARG . 5.4 mmt-85 -65.85 132.89 49.76 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 110.927 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -77.26 159.95 29.24 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 58' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.211 -0.931 . . . . 0.0 110.04 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 121.295 0.569 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.64 -10.03 60.63 Favored Glycine 0 N--CA 1.495 2.597 0 C-N-CA 120.327 -0.939 . . . . 0.0 110.991 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -69.74 111.83 5.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.724 -1.456 . . . . 0.0 110.078 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.88 140.48 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.744 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.3 t -59.94 118.14 5.89 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.554 -1.341 . . . . 0.0 109.545 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -59.93 -39.97 87.32 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.618 -0.676 . . . . 0.0 109.699 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -75.2 -38.59 60.7 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.937 -1.102 . . . . 0.0 111.495 -178.336 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.634 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.6 p -131.74 17.63 4.73 Favored 'General case' 0 N--CA 1.511 2.622 0 CA-C-N 120.266 1.394 . . . . 0.0 113.133 -178.513 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 7' ' ' CYS . 7.2 tp-100 54.47 -4.01 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.522 -1.361 . . . . 0.0 113.381 176.48 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' CYS . 12.6 t -57.0 140.02 50.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 119.428 -2.045 . . . . 0.0 108.561 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.1 p -104.03 -9.23 18.97 Favored 'General case' 0 N--CA 1.512 2.67 0 O-C-N 121.091 -1.006 . . . . 0.0 108.439 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -102.99 122.61 44.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.907 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 p -146.52 148.93 32.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.228 -0.92 . . . . 0.0 109.412 -179.436 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -72.12 -40.42 68.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 178.185 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.6 tp -145.5 131.72 19.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -78.35 128.37 33.57 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.025 -1.047 . . . . 0.0 108.955 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH1' HD23 ' A' ' 17' ' ' LEU . 3.6 mmt-85 -112.46 -179.53 3.69 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.578 0.704 . . . . 0.0 109.272 179.292 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -130.54 140.53 50.48 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.389 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.35 159.97 38.07 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.96 -20.27 17.72 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.368 1.379 . . . . 0.0 112.618 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -8.95 51.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.052 -1.03 . . . . 0.0 109.923 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 27.23 19.22 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.04 118.46 59.18 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.67 -0.9 . . . . 0.0 109.93 -179.246 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -51.81 132.64 42.62 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 119.967 1.024 . . . . 0.0 111.886 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.58 159.95 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.339 -0.85 . . . . 0.0 110.813 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.62 153.27 25.52 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -47.6 -37.68 12.99 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.086 -1.009 . . . . 0.0 112.378 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.19 -50.18 61.9 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.493 -1.379 . . . . 0.0 111.489 -178.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.1 m -58.84 -42.83 90.21 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.572 -1.33 . . . . 0.0 111.179 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.39 -46.97 91.28 Favored Glycine 0 C--N 1.29 -1.992 0 C-N-CA 119.055 -1.545 . . . . 0.0 110.363 -177.63 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -69.13 -51.96 33.08 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.341 -1.093 . . . . 0.0 110.238 -179.355 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -60.02 -44.49 94.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.568 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.67 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.1 t80 -64.1 -47.72 78.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.257 -0.902 . . . . 0.0 109.731 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -60.06 -40.83 90.81 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.118 -1.614 . . . . 0.0 110.638 -179.165 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.14 -40.0 75.04 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.731 -1.231 . . . . 0.0 111.419 -179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -116.51 -4.61 11.74 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.977 -1.077 . . . . 0.0 112.01 -178.238 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.67 ' N ' ' O ' ' A' ' 35' ' ' TYR . 60.1 tt0 39.74 51.19 2.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.595 -1.315 . . . . 0.0 111.666 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -147.83 154.58 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.246 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -86.06 138.8 31.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 109.29 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 11.8 ptt180 -119.0 150.1 48.06 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 121.142 -0.974 . . . . 0.0 109.551 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.7 148.24 66.42 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 120.917 1.078 . . . . 0.0 112.719 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -69.93 -19.81 63.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.529 -0.732 . . . . 0.0 110.969 -179.248 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 81.4 p -44.15 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.366 -0.834 . . . . 0.0 110.136 -178.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.541 ' N ' ' O ' ' A' ' 44' ' ' LEU . 25.3 ttt -80.27 -39.16 29.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.993 -1.067 . . . . 0.0 110.937 -179.178 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.634 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -76.24 164.46 26.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.331 -0.856 . . . . 0.0 110.28 -179.157 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -134.16 159.5 40.68 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.05 -83.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.278 -0.889 . . . . 0.0 110.993 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.67 -173.99 11.77 Favored Glycine 0 N--CA 1.497 2.744 0 O-C-N 120.92 -1.113 . . . . 0.0 110.672 -178.534 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.3 138.44 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.299 -1.118 . . . . 0.0 109.321 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -77.44 149.26 35.1 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -141.32 156.74 45.82 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.74 -1.225 . . . . 0.0 110.837 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -141.04 165.71 26.8 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.36 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -60.02 136.0 57.88 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.744 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -61.76 129.98 43.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 110.444 -178.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -60.93 -179.83 0.15 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.386 -0.821 . . . . 0.0 110.019 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.417 -0.802 . . . . 0.0 109.327 -179.88 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.434 0.635 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -12.44 34.14 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.03 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -70.04 113.93 7.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.813 -1.404 . . . . 0.0 110.166 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.65 141.53 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.204 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.5 t -58.38 117.78 4.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.556 -1.34 . . . . 0.0 109.849 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -60.0 -38.49 82.79 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.679 -0.638 . . . . 0.0 109.847 179.718 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.494 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.6 m-20 -80.22 -37.94 32.06 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.965 -1.085 . . . . 0.0 112.058 -177.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -129.05 16.36 6.21 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 120.638 1.563 . . . . 0.0 113.008 -178.716 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 59.04 -4.16 0.08 Allowed 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 175.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -58.8 150.96 22.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 119.21 -2.181 . . . . 0.0 109.062 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -130.12 18.79 5.46 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 120.988 -1.07 . . . . 0.0 108.52 178.477 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.2 p -123.86 48.9 1.81 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' HG23 ' A' ' 15' ' ' THR . 3.2 p -78.28 153.04 32.16 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.195 -0.941 . . . . 0.0 111.353 -176.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.3 p -77.41 -39.81 45.76 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.7 tp -142.16 132.56 25.09 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.238 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.4 m95 -80.44 128.34 33.47 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.142 -179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.533 ' NH1' HD23 ' A' ' 17' ' ' LEU . 4.3 mmt-85 -116.95 130.95 57.03 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.706 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.8 mmt-85 -83.48 146.18 28.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.382 -1.449 . . . . 0.0 107.121 178.403 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 159.89 36.84 Favored Pre-proline 0 N--CA 1.504 2.256 0 O-C-N 120.829 -1.17 . . . . 0.0 109.907 -179.428 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.53 -23.86 8.32 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.341 1.361 . . . . 0.0 112.82 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.5 mtt -91.07 -9.16 46.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.127 -0.983 . . . . 0.0 109.849 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.27 24.84 25.58 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -179.223 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.77 117.24 62.08 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.41 -1.053 . . . . 0.0 109.46 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -50.13 126.25 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.261 1.129 . . . . 0.0 113.055 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.7 m -131.07 159.34 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 O-C-N 121.445 -0.784 . . . . 0.0 109.734 178.389 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -82.37 153.45 25.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.946 . . . . 0.0 109.527 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.98 -29.98 9.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -0.871 . . . . 0.0 111.293 -177.191 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -53.41 12.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.701 -1.249 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.43 -42.57 87.55 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.644 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.86 -48.61 65.8 Favored Glycine 0 C--N 1.292 -1.902 0 C-N-CA 118.837 -1.649 . . . . 0.0 109.734 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.01 -52.44 24.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.212 -1.169 . . . . 0.0 110.918 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 32.3 t80 -60.01 -44.04 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.774 -1.204 . . . . 0.0 109.671 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.4 t80 -61.87 -46.35 89.79 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 -179.038 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.94 -42.1 93.28 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 119.988 -1.695 . . . . 0.0 110.307 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.29 -43.35 67.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.926 -1.108 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -111.77 -3.22 15.03 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.05 -1.031 . . . . 0.0 112.165 -177.785 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.8 pt20 37.78 44.88 0.61 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.427 -1.421 . . . . 0.0 112.998 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.76 157.15 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 14.5 p-10 -84.21 127.3 33.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.984 -1.073 . . . . 0.0 109.478 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -100.71 133.33 21.26 Favored Pre-proline 0 N--CA 1.498 1.968 0 O-C-N 121.182 -0.949 . . . . 0.0 110.275 -178.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.2 Cg_exo -51.02 152.11 10.79 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 119.923 1.008 . . . . 0.0 112.667 179.18 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.91 15.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.424 -0.798 . . . . 0.0 110.05 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.2 p -50.04 -26.13 4.06 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 110.465 -178.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.5 ptm -107.82 -2.9 19.52 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.033 -1.042 . . . . 0.0 110.923 -178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.28 148.06 28.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.27 172.3 15.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.909 . . . . 0.0 109.524 179.75 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.82 -76.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.167 -0.958 . . . . 0.0 111.572 -177.396 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.55 171.59 37.01 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.2 mt -92.57 146.33 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.52 -0.988 . . . . 0.0 109.627 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.14 147.05 30.24 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.8 159.46 41.28 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.104 -0.997 . . . . 0.0 109.093 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.5 163.7 37.79 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.586 -0.697 . . . . 0.0 109.836 -178.813 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.39 138.25 57.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.405 -0.809 . . . . 0.0 109.602 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.56 132.39 49.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.499 -0.75 . . . . 0.0 109.94 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -68.27 -172.41 0.32 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.505 -0.747 . . . . 0.0 109.976 -179.433 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.26 0.552 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 -10.39 64.67 Favored Glycine 0 N--CA 1.496 2.669 0 O-C-N 121.203 -0.936 . . . . 0.0 110.976 178.211 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.54 117.61 9.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.311 . . . . 0.0 110.199 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.49 140.93 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.7 t -62.75 118.57 7.88 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.563 -1.335 . . . . 0.0 109.879 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 m -61.66 -40.01 93.42 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.465 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.46 -39.57 58.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.134 -178.116 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -128.66 8.13 5.8 Favored 'General case' 0 N--CA 1.512 2.659 0 CA-C-N 120.32 1.418 . . . . 0.0 112.762 -178.063 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' CYS . 41.6 tt0 63.63 -1.28 0.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.561 -1.337 . . . . 0.0 113.544 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -61.48 143.99 54.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.549 -1.969 . . . . 0.0 108.651 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.7 p -108.42 -5.84 16.47 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -101.85 119.54 38.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.222 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.445 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.2 p -146.44 150.61 35.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.056 -1.028 . . . . 0.0 110.235 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -78.66 -38.98 38.16 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.4 tp -143.75 131.41 21.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.038 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ3' HG21 ' A' ' 15' ' ' THR . 60.1 m95 -81.75 128.85 34.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.889 -1.132 . . . . 0.0 109.014 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.779 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.4 mmt180 -111.62 178.33 4.36 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.266 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -130.83 140.11 50.22 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 159.4 39.33 Favored Pre-proline 0 N--CA 1.502 2.146 0 O-C-N 120.753 -1.217 . . . . 0.0 109.449 -179.4 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.0 -20.29 6.96 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.654 1.569 . . . . 0.0 113.633 -179.082 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -96.48 -5.92 38.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.839 -1.163 . . . . 0.0 109.885 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.44 17.04 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.32 114.92 65.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.22 -1.165 . . . . 0.0 109.911 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -49.88 134.84 35.63 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 CA-C-N 120.036 1.049 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.597 HG23 ' HB2' ' A' ' 19' ' ' ARG . 3.5 m -140.07 158.01 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -83.16 160.09 21.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.919 -1.113 . . . . 0.0 110.675 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.779 ' ND2' HH21 ' A' ' 19' ' ' ARG . 48.2 t-20 -44.48 -49.99 9.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.858 -0.526 . . . . 0.0 111.829 -178.433 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.75 70.14 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -59.97 -41.18 91.39 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.6 -1.313 . . . . 0.0 110.136 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.17 65.59 Favored Glycine 0 N--CA 1.487 2.054 0 C-N-CA 118.944 -1.598 . . . . 0.0 109.888 -178.176 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.41 -48.94 68.44 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 109.859 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -60.06 -43.0 95.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.338 -179.649 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -67.26 -49.1 65.69 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.532 -0.73 . . . . 0.0 109.797 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.98 -40.41 89.01 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.21 -1.556 . . . . 0.0 109.982 -179.525 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.11 -40.38 71.52 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 111.483 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -118.59 3.84 11.72 Favored 'General case' 0 N--CA 1.512 2.632 0 O-C-N 120.868 -1.145 . . . . 0.0 112.049 -178.121 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 15.9 pt20 35.05 40.12 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.724 -1.235 . . . . 0.0 113.552 179.314 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.12 155.09 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.132 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 p-10 -81.95 128.07 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.101 -1.0 . . . . 0.0 110.468 -178.571 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -89.48 150.99 45.54 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.347 -0.846 . . . . 0.0 109.771 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 45' ' ' THR . 18.8 Cg_endo -68.25 149.9 76.19 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 120.677 0.918 . . . . 0.0 111.024 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.65 5.78 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.861 -1.149 . . . . 0.0 110.611 -179.237 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 43' ' ' PRO . 5.0 t -60.83 -14.93 24.94 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.678 -1.264 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 71.5 mmm -99.83 -5.79 27.93 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.277 -0.89 . . . . 0.0 109.666 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 47' ' ' ARG . 40.5 ttt-85 -80.25 127.21 32.08 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 110.262 -178.789 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 43.6 mmtm -122.38 140.34 52.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.308 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' LYS . 26.2 t70 -41.21 -87.01 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.18 -0.95 . . . . 0.0 110.655 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.97 -173.9 25.65 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.22 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.33 138.65 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 121.296 -1.12 . . . . 0.0 108.944 178.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -74.98 150.59 38.96 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.32 47.13 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.802 -1.186 . . . . 0.0 109.77 -179.474 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -150.21 167.0 28.18 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.16 143.69 32.32 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.931 0.872 . . . . 0.0 109.998 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 56' ' ' ARG . 17.1 mmt-85 -62.41 125.61 24.51 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.464 0.649 . . . . 0.0 112.223 -177.787 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 29.6 ttpt -49.19 169.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 61.2 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 120.88 -1.137 . . . . 0.0 109.263 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 120.905 0.383 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.92 -9.07 70.32 Favored Glycine 0 N--CA 1.506 3.338 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.23 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -63.16 120.47 11.55 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.753 -1.439 . . . . 0.0 110.077 -178.614 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.2 142.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.6 t -68.34 117.87 10.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.827 -1.17 . . . . 0.0 110.276 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -59.99 -40.34 88.86 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.285 -0.884 . . . . 0.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.575 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.79 -39.43 56.96 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.426 -1.421 . . . . 0.0 112.457 -178.239 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HH12 ' A' ' 42' ' ' ARG . 13.7 p -128.47 12.36 6.43 Favored 'General case' 0 N--CA 1.515 2.791 0 CA-C-N 120.739 1.608 . . . . 0.0 112.546 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.9 mt-30 57.05 2.99 0.12 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.512 -1.367 . . . . 0.0 114.225 176.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.529 ' CA ' ' HE ' ' A' ' 47' ' ' ARG . 11.9 t -64.65 147.29 53.27 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.346 -1.471 . . . . 0.0 107.823 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.5 p -107.68 -7.69 16.34 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.097 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 p -99.26 119.27 37.63 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.249 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.429 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.5 p -145.43 150.17 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.127 -0.983 . . . . 0.0 109.381 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -78.31 -40.51 36.53 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.205 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.5 tp -144.69 128.45 17.27 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.308 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.4 m95 -75.99 130.01 37.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.828 -1.17 . . . . 0.0 109.298 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.2 mmt-85 -117.88 127.17 53.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 -179.03 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 30.1 mmt-85 -77.82 142.46 38.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 119.778 -1.826 . . . . 0.0 106.948 178.236 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.91 156.23 44.56 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.154 -0.967 . . . . 0.0 108.46 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -51.0 -19.79 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 120.853 1.035 . . . . 0.0 113.005 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.0 tpt -92.03 -17.91 24.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 109.795 -179.103 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.43 26.58 8.6 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.92 111.71 60.55 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.51 -0.994 . . . . 0.0 108.689 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.75 129.18 20.12 Favored 'Trans proline' 0 N--CA 1.486 1.081 0 CA-C-N 119.867 0.988 . . . . 0.0 112.615 -179.174 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.3 m -130.5 158.74 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.093 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.56 155.55 25.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 46.5 t-20 -49.89 -35.73 24.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.142 -0.974 . . . . 0.0 111.439 -177.325 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.4 13.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.852 -1.155 . . . . 0.0 111.094 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -55.42 -40.35 71.36 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.44 -1.412 . . . . 0.0 110.635 -179.292 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.35 68.76 Favored Glycine 0 C--N 1.288 -2.111 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.765 -177.151 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.96 -51.43 58.6 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.2 -1.176 . . . . 0.0 110.956 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.57 -43.53 97.22 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.583 -1.323 . . . . 0.0 109.641 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.641 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.2 t80 -61.61 -44.3 97.25 Favored 'General case' 0 C--O 1.2 -1.541 0 CA-C-O 121.552 0.691 . . . . 0.0 109.522 -178.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HZ2' ' CD1' ' A' ' 37' ' ' LEU . 17.0 ttpp -60.1 -42.33 94.44 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.13 -1.607 . . . . 0.0 109.637 179.59 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.539 ' CD1' ' HZ2' ' A' ' 36' ' ' LYS . 8.2 mp -70.31 -45.59 65.96 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.026 -1.046 . . . . 0.0 111.512 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLN . 64.1 m80 -115.21 0.32 13.5 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 120.938 -1.102 . . . . 0.0 112.637 -177.282 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.7 pt20 35.63 49.23 0.51 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.599 -1.313 . . . . 0.0 112.633 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.05 154.07 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.999 -1.063 . . . . 0.0 108.212 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -84.46 125.86 32.74 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 109.06 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.42 150.32 42.6 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.472 -0.767 . . . . 0.0 110.354 -178.899 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -62.34 149.6 90.18 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.309 1.34 . . . . 0.0 112.858 179.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 46' ' ' MET . 15.1 mt -66.9 -8.36 28.64 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.326 -0.859 . . . . 0.0 109.809 -179.684 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -58.14 -9.96 1.69 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.742 -1.224 . . . . 0.0 108.086 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 44' ' ' LEU . 16.4 ttt -101.26 -8.86 21.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HE ' ' CA ' ' A' ' 12' ' ' THR . 34.3 ttt-85 -83.14 139.62 33.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.74 -179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -134.28 159.55 40.63 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -66.57 -73.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.034 -1.041 . . . . 0.0 111.017 -178.348 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.28 172.29 41.67 Favored Glycine 0 N--CA 1.496 2.635 0 C-N-CA 119.688 -1.244 . . . . 0.0 111.228 -178.507 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -91.96 140.8 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.564 -0.962 . . . . 0.0 109.164 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -80.26 152.13 29.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 109.281 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.5 159.77 41.03 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 122.296 1.046 . . . . 0.0 109.768 -179.568 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -141.01 172.94 11.98 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -62.06 136.51 57.98 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.022 -1.049 . . . . 0.0 108.241 179.263 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 56' ' ' ARG . 2.1 mmt-85 -59.76 128.08 35.15 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.882 0.848 . . . . 0.0 112.146 -177.858 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 24.8 ttpt -48.18 163.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.043 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 3.9 m . . . . . 0 C--N 1.304 -1.382 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.372 0.606 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 -11.26 48.31 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 178.807 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 111.71 8.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.032 -1.276 . . . . 0.0 111.24 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.32 140.15 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.467 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 120.0 9.27 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.637 -1.289 . . . . 0.0 110.054 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 m -60.02 -40.06 88.03 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.591 -0.693 . . . . 0.0 110.123 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' H ' HG12 ' A' ' 27' ' ' VAL . 99.6 m-20 -77.66 -38.91 46.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.851 -1.156 . . . . 0.0 112.515 -178.058 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 12' ' ' THR . 11.7 p -130.86 12.75 5.27 Favored 'General case' 0 N--CA 1.514 2.767 0 CA-C-N 120.528 1.513 . . . . 0.0 112.804 -178.045 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 58.81 0.03 0.14 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.827 -1.171 . . . . 0.0 113.924 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.3 t -60.49 144.31 51.56 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 119.742 -1.849 . . . . 0.0 108.325 179.314 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -106.64 -8.86 16.75 Favored 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -99.9 119.98 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.068 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.475 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.2 p -144.01 147.38 33.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 109.222 -179.387 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 p -77.01 -39.66 49.47 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.495 -1.282 . . . . 0.0 107.692 178.657 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.876 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.7 tp -141.53 130.36 23.0 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.132 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CZ3' HG21 ' A' ' 15' ' ' THR . 54.2 m95 -79.8 130.29 35.2 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.669 -1.269 . . . . 0.0 109.574 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.876 ' NH1' HD23 ' A' ' 17' ' ' LEU . 23.7 mmt180 -112.86 177.5 4.61 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.735 . . . . 0.0 109.715 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -130.74 140.94 50.36 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 158.68 37.04 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.27 -0.894 . . . . 0.0 109.895 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -53.52 -16.88 8.4 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.228 1.285 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.7 ttm -93.79 -15.06 25.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.245 -0.91 . . . . 0.0 109.556 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 28.98 9.1 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -107.63 114.18 60.74 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.992 . . . . 0.0 109.122 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.95 141.84 16.27 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.08 1.064 . . . . 0.0 112.979 -179.768 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.3 m -144.1 159.28 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.24 -0.912 . . . . 0.0 109.975 179.185 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.57 157.38 22.34 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 110.557 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.69 ' ND2' HH21 ' A' ' 19' ' ' ARG . 41.0 t-20 -47.3 -35.29 7.73 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.57 -0.707 . . . . 0.0 112.522 -177.132 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.86 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.457 -1.402 . . . . 0.0 110.968 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 34.2 m -59.16 -43.67 92.11 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.572 -1.33 . . . . 0.0 110.072 -179.288 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.62 65.66 Favored Glycine 0 C--N 1.291 -1.933 0 C-N-CA 118.929 -1.605 . . . . 0.0 109.872 -178.363 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.68 -50.05 66.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.137 -1.213 . . . . 0.0 109.977 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 38.9 t80 -60.02 -46.36 89.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.664 -1.272 . . . . 0.0 110.117 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.6 t80 -64.51 -45.65 86.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.386 -0.821 . . . . 0.0 110.742 -178.438 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.15 -40.27 89.27 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.151 -1.593 . . . . 0.0 109.788 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.93 -39.49 66.21 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.235 -0.915 . . . . 0.0 111.72 -179.308 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLN . 80.8 m-70 -118.97 -1.08 11.04 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.916 -1.115 . . . . 0.0 112.338 -177.753 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.5 pt20 34.66 46.71 0.2 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.865 -1.147 . . . . 0.0 113.699 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -140.01 151.85 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.305 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -81.13 117.74 21.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.142 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 42' ' ' ARG . 2.7 ttt-85 -93.06 135.22 26.08 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.488 -0.758 . . . . 0.0 109.488 -179.311 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -43.73 151.51 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 120.846 1.031 . . . . 0.0 113.091 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 44' ' ' LEU . 6.7 mp -67.79 -16.06 63.93 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.489 -0.757 . . . . 0.0 110.718 -178.665 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.0 p -50.62 -10.04 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.237 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' LEU . 10.9 tpt -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 1.1 mpt_? -81.97 157.02 24.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.234 -0.916 . . . . 0.0 111.402 -178.71 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -112.59 -156.75 0.6 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.079 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -92.51 2.64 56.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.88 -1.138 . . . . 0.0 109.926 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.33 -178.43 29.57 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 178.61 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mt -82.77 139.32 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.852 -1.381 . . . . 0.0 107.378 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.98 146.94 30.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.853 -1.154 . . . . 0.0 109.997 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.97 160.56 39.46 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.017 -1.052 . . . . 0.0 109.606 -179.55 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.604 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.51 161.8 41.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.272 0.558 . . . . 0.0 109.54 -179.385 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.62 136.46 38.92 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.232 -0.917 . . . . 0.0 108.591 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -69.78 139.73 53.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.672 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -63.68 -169.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.852 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.303 -1.416 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 -179.407 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.302 0.572 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -9.98 70.05 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -70.46 118.9 13.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.887 -1.361 . . . . 0.0 110.539 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.62 142.96 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.202 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' CYS . 10.8 t -78.95 126.97 31.39 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.575 -1.328 . . . . 0.0 109.533 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -177.849 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -78.52 -38.97 39.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.061 -1.649 . . . . 0.0 109.086 -179.17 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.826 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.3 p -131.47 88.08 2.54 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.784 1.278 . . . . 0.0 108.393 179.056 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -37.1 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.812 0 CA-C-N 113.486 -1.688 . . . . 0.0 114.503 -179.121 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.826 ' N ' ' O ' ' A' ' 10' ' ' CYS . 8.8 t -73.66 174.33 8.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 119.959 -1.713 . . . . 0.0 109.524 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.9 p -129.32 6.24 5.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.391 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -115.66 124.79 51.79 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.448 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 p -148.96 151.09 33.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.211 -0.931 . . . . 0.0 109.639 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -80.04 -39.29 30.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.402 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.71 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.0 tp -144.44 130.23 19.23 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.65 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -82.48 127.54 33.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 108.946 179.378 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.71 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.0 mmt-85 -114.0 119.54 37.55 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.39 -0.819 . . . . 0.0 110.847 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -71.43 141.44 50.28 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.52 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -90.75 154.49 45.73 Favored Pre-proline 0 N--CA 1.504 2.271 0 O-C-N 120.719 -1.238 . . . . 0.0 109.757 -179.179 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -47.98 -25.93 6.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.028 1.152 . . . . 0.0 112.422 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.2 mtt -90.26 -15.19 31.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.546 -0.721 . . . . 0.0 109.596 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.84 18.72 21.88 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.18 113.18 60.91 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.186 -1.185 . . . . 0.0 109.658 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -49.89 130.34 26.9 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 CA-C-N 120.013 1.04 . . . . 0.0 113.294 179.481 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.17 153.12 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.338 -0.851 . . . . 0.0 108.959 177.453 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -78.14 165.63 23.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 33' ' ' LEU . 48.1 t-20 -54.94 -41.63 71.29 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 111.38 -177.262 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.15 -59.7 4.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.746 -1.221 . . . . 0.0 111.118 -178.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -60.09 -39.97 87.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.576 -178.663 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -50.03 64.62 Favored Glycine 0 N--CA 1.485 1.948 0 C-N-CA 119.164 -1.493 . . . . 0.0 109.748 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 29' ' ' ASN . 74.2 mt -65.41 -51.41 60.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.276 -1.132 . . . . 0.0 110.717 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 22.6 t80 -60.29 -44.69 95.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.001 -1.062 . . . . 0.0 109.803 -179.54 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.3 t80 -60.05 -43.56 95.3 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.284 -179.041 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -60.11 -45.25 93.58 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.119 -1.613 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.05 -42.46 69.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.105 -0.997 . . . . 0.0 111.781 -178.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -111.89 -9.91 14.02 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.995 -1.065 . . . . 0.0 112.185 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 39.57 47.79 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.536 -1.353 . . . . 0.0 113.296 179.43 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.02 151.54 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 176.212 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 38.1 p-10 -85.68 130.02 34.67 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.783 -1.198 . . . . 0.0 110.184 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.57 150.05 39.1 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.331 -0.855 . . . . 0.0 109.894 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 45' ' ' THR . 6.0 Cg_endo -60.4 152.95 63.69 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.304 1.336 . . . . 0.0 112.947 179.257 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.4 mp -62.98 7.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.524 -0.735 . . . . 0.0 109.97 179.681 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.9 p -64.81 -12.84 52.45 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.128 -0.982 . . . . 0.0 109.262 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -97.59 -21.48 17.04 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.204 -0.935 . . . . 0.0 109.06 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.09 145.71 29.1 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -131.01 151.55 51.29 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.295 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.4 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.026 -1.046 . . . . 0.0 109.88 -179.541 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.78 -176.75 17.31 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mt -91.57 141.92 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.225 -1.162 . . . . 0.0 109.724 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.97 151.94 31.32 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.378 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.64 157.64 45.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.264 -0.897 . . . . 0.0 110.323 -179.125 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -145.42 171.19 14.98 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.225 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.06 136.07 57.91 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.495 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -60.01 129.03 39.75 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 110.264 -178.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -44.99 161.92 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.57 -0.706 . . . . 0.0 109.112 179.766 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.489 1.518 0 O-C-N 120.979 -1.075 . . . . 0.0 109.595 -179.56 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.449 0.642 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.11 -6.45 83.5 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 178.697 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -68.27 112.37 5.13 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.982 -1.304 . . . . 0.0 110.8 -178.543 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.09 140.92 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 176.834 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.9 t -60.77 118.04 6.14 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 120.886 -1.134 . . . . 0.0 110.05 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.04 -40.0 87.85 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.115 -179.329 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.575 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 77.3 m-20 -75.57 -39.53 58.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.771 -1.171 . . . . 0.0 112.363 -178.627 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.8 p -127.95 11.69 6.62 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.441 1.473 . . . . 0.0 113.003 -178.537 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.1 mt-30 56.79 -0.61 0.06 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.37 -1.456 . . . . 0.0 113.734 176.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.7 t -63.65 157.16 24.73 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 119.821 -1.799 . . . . 0.0 108.494 179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -128.83 6.65 5.56 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 121.039 -1.038 . . . . 0.0 110.572 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 7.9 p -107.8 48.97 0.82 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.948 -1.095 . . . . 0.0 109.165 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.512 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -74.35 146.31 43.16 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 121.21 -0.931 . . . . 0.0 111.857 -176.922 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -72.93 -41.87 64.08 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.487 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.964 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.8 tp -142.67 131.52 22.86 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.844 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.512 ' CZ3' HG21 ' A' ' 15' ' ' THR . 61.5 m95 -79.63 126.98 31.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.074 -1.016 . . . . 0.0 109.9 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.964 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.7 mmt180 -108.33 177.22 4.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.302 -0.874 . . . . 0.0 108.921 179.388 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -131.1 139.64 49.89 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.694 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -92.74 156.23 41.09 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 120.909 -1.119 . . . . 0.0 109.448 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.08 -14.62 1.51 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.25 1.3 . . . . 0.0 112.597 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.8 OUTLIER -94.92 -11.59 28.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 109.948 -179.658 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.38 31.1 9.9 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -108.52 114.45 59.02 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.513 -0.993 . . . . 0.0 109.293 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -50.57 140.6 35.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 CA-C-N 120.192 1.104 . . . . 0.0 112.944 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.0 m -143.54 159.44 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.48 -0.762 . . . . 0.0 109.96 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -84.14 156.78 21.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.074 -1.016 . . . . 0.0 109.575 179.214 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.659 ' ND2' HH21 ' A' ' 19' ' ' ARG . 47.6 t-20 -45.25 -40.44 7.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 111.812 -178.399 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.2 39.21 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.855 -1.153 . . . . 0.0 111.475 -178.382 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.9 m -56.71 -39.06 73.2 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 110.57 -178.504 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.85 -49.23 80.1 Favored Glycine 0 N--CA 1.487 2.092 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.035 -178.558 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 mt -69.5 -47.47 63.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.199 -1.177 . . . . 0.0 110.296 -179.314 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 29.7 t80 -60.04 -40.04 87.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.769 -1.207 . . . . 0.0 109.132 -179.659 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 39' ' ' GLN . 57.3 t80 -59.95 -44.68 94.26 Favored 'General case' 0 C--O 1.199 -1.593 0 O-C-N 121.531 -0.731 . . . . 0.0 110.02 -178.766 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -56.27 -47.12 79.21 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 120.139 -1.601 . . . . 0.0 110.159 -179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.8 mp -71.95 -35.89 69.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.4 -1.437 . . . . 0.0 109.618 178.735 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.972 ' O ' ' N ' ' A' ' 40' ' ' VAL . 62.2 m-70 -112.24 42.79 1.72 Allowed 'General case' 0 C--O 1.192 -1.967 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.937 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 35' ' ' TYR . 50.5 tt0 -31.3 59.28 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 CA-C-O 122.156 0.979 . . . . 0.0 110.66 -179.216 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.972 ' N ' ' O ' ' A' ' 38' ' ' HIS . 22.8 m -160.45 174.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.688 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 30.2 p-10 -80.23 128.63 33.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 108.338 178.665 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.903 ' H ' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -97.81 154.65 37.76 Favored Pre-proline 0 N--CA 1.503 2.176 0 O-C-N 121.167 -0.958 . . . . 0.0 112.006 -177.495 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 45' ' ' THR . 29.0 Cg_endo -70.42 150.6 64.46 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.355 1.37 . . . . 0.0 111.551 178.577 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.36 15.55 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.356 -0.84 . . . . 0.0 110.881 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.0 p -66.35 -18.63 65.47 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.813 -1.179 . . . . 0.0 109.551 179.548 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -99.07 -2.51 36.92 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.149 -0.97 . . . . 0.0 110.675 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 41.8 ttt-85 -83.17 129.96 35.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.194 -0.941 . . . . 0.0 111.281 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -125.99 146.32 49.93 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.364 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.12 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.807 -1.183 . . . . 0.0 110.51 -178.203 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.22 -173.41 29.18 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 14' ' ' THR . 1.9 mt -91.69 135.53 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.303 -1.116 . . . . 0.0 110.256 -179.689 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.26 152.74 43.0 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.27 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.67 158.18 43.92 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.74 -1.225 . . . . 0.0 111.397 -178.581 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 60.5 mtt-85 -150.93 170.01 20.37 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.949 179.473 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.8 135.62 47.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.363 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.07 130.27 46.18 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.371 -0.83 . . . . 0.0 111.398 -177.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 33.0 ttpt -48.42 156.22 0.44 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.64 -0.663 . . . . 0.0 109.284 178.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 57' ' ' LYS . 14.0 p . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.403 0.62 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 0.5 75.86 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.419 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' CZ3' ' A' ' 18' ' ' TRP . 10.2 m -66.79 119.49 11.92 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.709 -1.465 . . . . 0.0 110.896 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.11 141.84 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.007 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.0 t -62.58 115.36 4.2 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.528 -1.357 . . . . 0.0 110.729 -179.509 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -60.05 -40.03 88.0 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 109.489 179.443 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.506 ' ND2' HG11 ' A' ' 27' ' ' VAL . 99.7 m-20 -75.29 -39.52 59.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.871 -1.143 . . . . 0.0 112.581 -178.191 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 p -128.26 11.43 6.42 Favored 'General case' 0 N--CA 1.509 2.502 0 CA-C-N 120.392 1.451 . . . . 0.0 112.238 -178.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 78.5 mt-30 61.42 2.59 0.67 Allowed 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.535 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -64.41 160.03 20.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 119.632 -1.918 . . . . 0.0 109.369 -179.884 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -133.6 11.49 4.07 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.103 -0.998 . . . . 0.0 108.99 178.224 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 19.5 p -114.39 48.22 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.492 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.9 p -76.06 148.99 37.57 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 121.053 -1.029 . . . . 0.0 111.35 -176.608 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -79.55 -37.82 35.59 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 177.522 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.6 tp -144.48 132.15 21.16 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.508 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CZ3' HG21 ' A' ' 15' ' ' THR . 84.5 m95 -84.49 127.59 34.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.717 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.754 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.4 mmt180 -114.18 119.04 35.73 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.465 -0.772 . . . . 0.0 109.755 -179.27 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -70.39 143.2 51.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 119.843 -1.785 . . . . 0.0 107.432 177.561 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 156.25 40.85 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 120.934 -1.104 . . . . 0.0 110.097 -179.297 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.81 -23.38 8.46 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.591 1.528 . . . . 0.0 113.09 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.1 ttt -94.47 -15.33 24.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.067 -1.02 . . . . 0.0 109.869 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 22.69 9.9 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.406 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -100.31 114.07 65.6 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.364 . . . . 0.0 109.76 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -52.59 130.94 38.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 CA-C-N 120.159 1.092 . . . . 0.0 112.324 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 ' ND2' ' A' ' 9' ' ' ASN . 6.4 m -134.76 160.87 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.445 -0.784 . . . . 0.0 109.67 178.34 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -82.74 160.29 22.36 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.205 -0.934 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.754 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.3 t-20 -47.42 -41.77 20.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.744 -0.598 . . . . 0.0 112.218 -177.694 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.39 29.48 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.709 -1.244 . . . . 0.0 110.681 -178.177 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' NE ' ' A' ' 42' ' ' ARG . 55.9 m -56.03 -52.69 63.34 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.648 -1.283 . . . . 0.0 108.919 179.608 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.36 -59.92 2.5 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 37' ' ' LEU . 90.3 mt -60.76 -50.86 71.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -1.038 . . . . 0.0 111.974 -178.718 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -59.94 -37.1 78.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.786 -1.196 . . . . 0.0 109.698 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' GLN . 30.8 t80 -59.49 -49.48 77.64 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.26 0.552 . . . . 0.0 110.335 -178.415 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.71 86.9 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.632 -1.293 . . . . 0.0 109.976 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.4 mp -59.09 -45.97 89.48 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 108.623 -178.586 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 47.3 m80 -108.97 -72.46 0.72 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.183 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 51.1 tt0 114.59 61.14 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 CA-C-O 122.115 0.96 . . . . 0.0 108.514 -179.106 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.56 162.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.118 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.9 p30 -81.52 133.86 35.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.015 -1.053 . . . . 0.0 108.796 179.168 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NE ' ' SG ' ' A' ' 31' ' ' CYS . 24.4 ptt180 -92.54 150.08 39.24 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 120.834 -1.166 . . . . 0.0 109.4 -179.12 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.95 151.16 82.62 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 120.639 0.892 . . . . 0.0 111.827 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.1 mp -68.04 0.37 3.65 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.318 -0.864 . . . . 0.0 110.483 -179.257 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -61.18 -16.55 45.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.642 -1.286 . . . . 0.0 108.466 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 ttt -97.89 -0.95 44.04 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.254 -0.904 . . . . 0.0 109.865 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -80.16 129.95 34.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ASP . 53.9 tttm -123.38 138.36 54.62 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 2.1 p-10 -39.37 -90.86 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.51 -0.743 . . . . 0.0 110.95 -178.499 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -72.11 -174.08 21.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.328 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -91.36 144.45 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.176 -1.19 . . . . 0.0 109.279 179.241 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.47 152.65 28.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.568 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.93 38.64 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.927 -1.108 . . . . 0.0 109.784 -179.506 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -151.28 175.51 12.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.832 -0.543 . . . . 0.0 109.949 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.03 137.31 58.24 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -68.15 135.23 51.79 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.907 0.861 . . . . 0.0 111.752 -178.242 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -50.09 149.71 2.69 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.74 -0.6 . . . . 0.0 110.049 179.608 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.497 1.915 0 O-C-N 121.352 -0.843 . . . . 0.0 108.733 179.485 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 1 O4'-C1'-N19 111.201 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 0 O4'-C1'-N19 110.3 3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.888 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.027 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.555 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.445 1.917 1 O4'-C1'-N19 112.477 5.847 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.465 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.421 ' H71' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.265 0 O4'-C1'-N19 110.966 3.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.561 1 O4'-C1'-N19 111.642 4.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.2 4.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.882 5.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.827 0 O4'-C1'-N19 110.339 3.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.502 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.699 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 111.187 4.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.405 ' O2 ' ' H2 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.005 1 O4'-C1'-N19 111.34 4.426 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.753 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.214 3.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.373 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.173 1 O4'-C1'-N19 111.655 4.819 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.559 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 111.897 5.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.455 ' OP1' ' CD2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.428 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.45 2.33 1 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.534 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.018 0 O4'-C1'-N19 110.689 3.611 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.515 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O4'-C1'-N19 112.353 5.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.81 0 C3'-C2'-C1' 107.246 3.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.195 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.533 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.432 ' C6 ' ' N6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.501 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.432 ' N6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.363 1 O4'-C1'-N19 111.193 4.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.211 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 5' ' ' THR . 8.5 ptpp? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.859 0.838 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' HG3' ' HE1' ' A' ' 18' ' ' TRP . 30.6 ttp180 -67.4 -40.0 85.6 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.449 0.642 . . . . 0.0 109.59 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.59 118.34 2.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.495 -0.753 . . . . 0.0 110.521 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 -11.44 60.71 Favored Glycine 0 N--CA 1.495 2.588 0 O-C-N 121.284 -0.885 . . . . 0.0 111.636 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 6.9 m -63.25 119.14 9.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.5 -1.588 . . . . 0.0 109.485 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.7 141.74 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 11' ' ' GLN . 31.8 t -62.94 115.26 4.23 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.646 -1.284 . . . . 0.0 110.452 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -60.3 -39.98 88.88 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.74 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -74.99 -39.11 61.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.893 -1.13 . . . . 0.0 111.808 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 p -130.1 14.03 5.7 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.175 1.352 . . . . 0.0 112.738 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' CYS . 71.8 mt-30 57.21 1.16 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.583 -1.323 . . . . 0.0 114.0 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 7' ' ' CYS . 6.5 t -61.2 156.86 17.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 119.897 -1.752 . . . . 0.0 108.557 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -133.51 10.01 4.02 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.876 -1.14 . . . . 0.0 108.825 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 30.2 p -112.47 47.52 1.07 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.499 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -75.76 149.03 38.08 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.082 -1.011 . . . . 0.0 111.285 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.417 HG22 HG21 ' A' ' 51' ' ' ILE . 25.2 p -75.68 -39.39 57.62 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.888 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 7.8 tp -141.02 132.52 26.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 15' ' ' THR . 43.5 m95 -80.98 126.27 31.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.997 -1.064 . . . . 0.0 109.657 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.634 ' NH1' HD23 ' A' ' 17' ' ' LEU . 7.7 mmt-85 -110.49 177.9 4.54 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 18.0 tpt180 -130.56 141.93 50.47 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.9 160.08 38.85 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 120.986 -1.071 . . . . 0.0 109.475 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.51 -17.26 16.32 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.43 1.42 . . . . 0.0 112.479 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ttt -93.85 -12.02 29.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 109.88 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 94.52 21.81 25.78 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -99.01 115.05 65.99 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 0.0 108.822 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -49.97 139.08 34.31 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 CA-C-N 120.229 1.118 . . . . 0.0 112.544 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG11 ' ND2' ' A' ' 9' ' ' ASN . 2.3 m -140.77 159.64 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.3 -0.875 . . . . 0.0 110.418 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.06 155.06 24.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.198 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -49.43 -31.34 9.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.307 -0.87 . . . . 0.0 110.636 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.62 -53.81 12.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.749 -1.219 . . . . 0.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -58.87 -41.74 87.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.825 -1.172 . . . . 0.0 110.086 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.85 -49.52 70.32 Favored Glycine 0 C--N 1.292 -1.913 0 C-N-CA 118.927 -1.606 . . . . 0.0 110.185 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.87 -49.71 49.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 110.438 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.0 -45.83 91.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.921 -1.112 . . . . 0.0 109.466 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLN . 34.1 t80 -60.93 -47.59 85.7 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.563 0.697 . . . . 0.0 110.083 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -60.0 -40.37 88.95 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.271 -1.518 . . . . 0.0 109.919 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.5 -39.98 67.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 111.605 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' OP1' ' C' ' 122' ' ' ' DT' . 77.7 m-70 -113.34 -12.46 13.02 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.848 -1.157 . . . . 0.0 111.801 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' TYR . 33.4 tt0 43.29 57.02 3.99 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.44 -1.413 . . . . 0.0 111.429 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.12 154.82 8.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.15 120.46 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.787 -1.195 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 31.4 ttp180 -89.92 139.52 27.54 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.802 -0.561 . . . . 0.0 109.722 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -60.05 152.45 65.13 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 120.619 0.879 . . . . 0.0 112.337 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.8 mp -69.22 -1.16 7.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.685 . . . . 0.0 110.77 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -60.97 -14.88 25.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.746 -1.222 . . . . 0.0 109.63 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.535 ' SD ' ' NH1' ' A' ' 42' ' ' ARG . 20.4 ttt -98.22 -0.57 43.87 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.134 -0.979 . . . . 0.0 109.36 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -77.01 136.91 38.72 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.66 -0.65 . . . . 0.0 109.358 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -123.44 133.27 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -46.27 -83.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.038 -1.039 . . . . 0.0 110.012 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.92 178.74 28.8 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -92.19 140.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.4 -1.059 . . . . 0.0 110.234 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -78.48 149.72 33.13 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 159.96 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 0.0 109.359 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -152.36 169.84 21.56 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -54.79 138.91 41.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 56' ' ' ARG . 39.4 mtt-85 -62.17 130.46 45.53 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.286 -0.884 . . . . 0.0 111.884 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' VAL . 5.6 ttmt -52.29 148.99 5.88 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' LYS . 14.9 p -42.11 150.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.484 -0.76 . . . . 0.0 109.453 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -82.39 130.58 35.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.975 -1.078 . . . . 0.0 108.47 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.4 t -145.61 148.8 33.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.124 -0.985 . . . . 0.0 109.475 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -90.02 -93.24 0.12 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.128 -0.983 . . . . 0.0 109.27 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -175.16 45.7 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -126.65 154.08 44.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.569 -0.96 . . . . 0.0 108.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.86 140.02 58.83 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -118.57 149.29 41.59 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.617 0.722 . . . . 0.0 110.02 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.922 -179.652 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.43 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.43 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.31 0 O4'-C1'-N19 110.581 3.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.397 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.681 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.858 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.566 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.444 1.871 1 O4'-C1'-N19 111.933 5.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.519 " H2'" ' H72' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.649 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.519 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.621 1 O4'-C1'-N19 111.317 4.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.388 1 O4'-C1'-N19 112.305 5.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.433 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C1'-N19 110.153 2.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.526 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.802 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.054 1 O4'-C1'-N19 111.753 4.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.505 4.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.672 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.762 3.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.5 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.476 4.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.526 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.52 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 112.185 5.481 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.45 ' OP2' HD23 ' A' ' 37' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.462 4.578 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 111.649 4.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.454 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.423 1 O4'-C1'-N19 111.424 4.529 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.454 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.532 1 O4'-C1'-N19 112.037 5.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.428 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.058 0 C3'-C2'-C1' 107.323 3.302 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.479 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 1 O4'-C1'-N19 111.882 5.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 O4'-C1'-N19 110.972 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 18' ' ' TRP . 3.6 mmp_? -69.91 -39.9 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -0.908 . . . . 0.0 109.213 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.26 115.56 0.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.73 -0.606 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -2.19 80.74 Favored Glycine 0 N--CA 1.499 2.892 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 m -70.61 114.46 8.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.784 -1.421 . . . . 0.0 110.861 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.37 140.97 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -58.61 119.49 7.15 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.883 -1.136 . . . . 0.0 111.416 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -60.05 -39.85 87.43 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.369 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -75.63 -38.87 58.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.756 -1.215 . . . . 0.0 111.997 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.7 p -130.97 13.61 5.24 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 120.368 1.44 . . . . 0.0 112.877 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 7' ' ' CYS . 26.9 mm100 57.16 4.56 0.2 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.281 -1.512 . . . . 0.0 113.849 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -67.24 158.0 32.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 119.98 -1.7 . . . . 0.0 108.656 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 m -130.43 6.43 4.84 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.194 -0.941 . . . . 0.0 109.432 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.3 p -106.05 48.22 0.85 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.247 -0.908 . . . . 0.0 109.256 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -77.55 147.69 35.61 Favored 'General case' 0 C--N 1.284 -2.266 0 O-C-N 121.161 -0.962 . . . . 0.0 111.836 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.3 p -77.63 -39.04 46.61 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.859 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.7 tp -143.95 132.64 22.42 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CZ3' HG21 ' A' ' 15' ' ' THR . 59.5 m95 -80.74 128.08 33.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.862 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.859 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.8 mmt180 -110.72 176.24 5.11 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.575 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 17.4 mmm-85 -131.0 139.71 50.03 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 160.09 34.72 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.336 -0.852 . . . . 0.0 109.449 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.57 -16.08 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.382 1.388 . . . . 0.0 112.295 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.8 mtm -95.2 -11.4 28.13 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.035 -1.041 . . . . 0.0 109.8 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.54 36.36 6.2 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -109.86 115.99 54.53 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 121.282 -1.128 . . . . 0.0 110.439 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -51.95 128.72 27.81 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.065 1.059 . . . . 0.0 111.989 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.7 m -133.68 159.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.631 -0.668 . . . . 0.0 109.84 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.87 160.98 22.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -0.932 . . . . 0.0 109.861 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -49.76 -34.65 19.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.686 -0.634 . . . . 0.0 111.955 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.31 -49.97 15.53 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.534 -1.354 . . . . 0.0 111.717 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.6 m -59.81 -42.31 93.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.493 -1.379 . . . . 0.0 110.053 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.24 77.1 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.83 -47.02 76.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.367 -1.078 . . . . 0.0 109.159 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.96 -47.27 86.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 108.856 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' GLN . 12.8 t80 -63.56 -48.9 75.57 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-O 121.387 0.613 . . . . 0.0 110.845 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.13 -41.22 92.19 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.177 -1.577 . . . . 0.0 110.745 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.45 HD23 ' OP2' ' C' ' 122' ' ' ' DT' . 7.9 mp -67.39 -41.46 84.93 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.974 -1.079 . . . . 0.0 111.281 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' GLN . 79.9 m80 -123.31 6.95 9.05 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.869 -1.144 . . . . 0.0 112.559 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.2 tt0 35.92 59.19 0.9 Allowed 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.697 -1.252 . . . . 0.0 112.305 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.57 151.75 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -86.56 129.73 34.76 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.045 -1.034 . . . . 0.0 109.845 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.556 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -94.39 129.17 37.7 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.143 -0.973 . . . . 0.0 109.238 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -47.37 151.79 2.7 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 CA-C-N 120.071 1.061 . . . . 0.0 112.85 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.6 mp -60.04 -9.94 3.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.619 -0.676 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.6 p -57.02 -13.11 2.46 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 120.7 -1.25 . . . . 0.0 109.248 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 ttt -96.63 -4.41 41.07 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.11 -0.994 . . . . 0.0 109.999 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -78.06 133.73 37.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.685 -0.635 . . . . 0.0 111.302 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' GLY . 31.4 mtmm -115.98 128.6 55.87 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.44 5.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.873 -1.142 . . . . 0.0 111.221 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -150.34 168.73 30.29 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 14' ' ' THR . 3.1 mt -90.02 137.8 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.269 . . . . 0.0 109.76 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.69 150.79 27.85 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.505 -0.747 . . . . 0.0 109.489 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.84 160.4 39.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 110.346 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 13.9 tpt180 -149.74 156.25 41.53 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.51 139.98 11.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.044 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -57.49 123.37 15.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 109.232 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -67.6 169.53 9.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.318 -0.864 . . . . 0.0 110.18 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.02 160.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.527 -0.733 . . . . 0.0 109.842 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.3 p -91.18 84.45 5.67 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 t -92.06 77.28 5.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.265 -0.897 . . . . 0.0 109.771 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -167.91 89.4 0.28 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.467 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.5 -105.21 2.67 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -83.26 158.95 22.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.383 -1.069 . . . . 0.0 109.852 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -79.98 -0.96 37.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.389 -0.819 . . . . 0.0 109.766 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 65' ' ' ARG . 39.3 ttt-85 -59.88 138.01 57.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.294 -179.487 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 0 O4'-C1'-N19 110.698 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 1 O4'-C1'-N19 111.316 4.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.833 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O4'-C1'-N19 110.819 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.58 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.578 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.066 1 O4'-C1'-N19 111.641 4.802 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.546 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.195 0 O4'-C1'-N19 110.874 3.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.451 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.572 1 O4'-C1'-N19 111.167 4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.278 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.108 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.587 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.289 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.76 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.587 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.103 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.404 ' H72' " H2'" ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.329 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.53 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.53 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.607 1 O4'-C1'-N19 112.208 5.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.461 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.413 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.451 2.353 1 O4'-C1'-N19 111.806 5.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.488 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.251 0 O4'-C1'-N19 110.527 3.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.488 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.106 1 O4'-C1'-N19 112.524 5.905 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.489 ' OP1' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.184 0 C3'-C2'-C1' 107.174 3.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.583 4.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.436 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.744 3.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 1 O4'-C1'-N19 111.368 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 5' ' ' THR . 61.0 mttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HG2' ' NH1' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -95.15 -10.01 31.82 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.377 -0.827 . . . . 0.0 109.402 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.31 113.33 5.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 -10.9 55.99 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 16.0 m -63.28 120.64 11.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -1.23 . . . . 0.0 110.191 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.25 141.93 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 t -63.07 117.53 6.61 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.587 -1.321 . . . . 0.0 109.888 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PRO . 63.8 m -59.94 -40.13 87.88 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -73.33 -40.06 64.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 112.547 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.52 13.05 4.53 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.366 -1.459 . . . . 0.0 112.52 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.9 tt0 63.29 -0.92 0.59 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.759 -1.213 . . . . 0.0 113.584 176.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -63.1 148.35 48.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 119.622 -1.924 . . . . 0.0 108.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.5 p -108.92 -7.82 15.37 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 p -103.45 121.72 43.41 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.441 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.4 p -145.38 147.13 31.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 0.0 109.457 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 p -74.46 -40.58 61.81 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.798 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.1 tp -144.79 129.98 18.6 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CZ3' HG21 ' A' ' 15' ' ' THR . 88.8 m95 -81.42 130.13 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.798 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -113.09 113.85 25.99 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 21' ' ' SER . 16.1 tpt180 -78.78 82.33 5.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 119.973 -1.704 . . . . 0.0 108.297 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.4 156.88 0.03 OUTLIER Pre-proline 0 N--CA 1.505 2.291 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -54.19 -16.41 9.62 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.241 1.961 . . . . 0.0 114.2 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.4 mtt -94.14 -16.88 23.34 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.963 -1.086 . . . . 0.0 109.377 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 16.86 23.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.72 122.0 54.49 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.617 -1.52 . . . . 0.0 109.369 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 8' ' ' SER . 5.7 Cg_exo -57.59 134.26 62.03 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 CA-C-N 120.049 1.053 . . . . 0.0 112.949 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' ARG . 10.8 m -141.41 161.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 121.35 -0.843 . . . . 0.0 109.979 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.45 154.45 22.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.942 -1.099 . . . . 0.0 109.379 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.749 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.1 t-20 -44.76 -37.57 3.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.5 -0.75 . . . . 0.0 111.983 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -48.48 55.28 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.602 -1.311 . . . . 0.0 111.411 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' NH1' ' A' ' 42' ' ' ARG . 56.5 m -61.23 -41.7 97.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.87 -1.143 . . . . 0.0 110.885 -178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.67 56.74 Favored Glycine 0 N--CA 1.484 1.893 0 C-N-CA 118.903 -1.618 . . . . 0.0 109.752 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 68.8 mt -64.51 -47.28 79.48 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 109.771 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 24.1 t80 -59.96 -42.98 95.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.052 -1.03 . . . . 0.0 109.489 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 39' ' ' GLN . 16.8 t80 -68.82 -46.59 68.22 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.674 -0.642 . . . . 0.0 110.858 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.3 ttpm? -59.93 -41.21 91.31 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 119.942 -1.724 . . . . 0.0 110.386 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.05 -39.99 75.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.085 -1.009 . . . . 0.0 111.612 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 78.7 m-70 -119.07 0.69 11.32 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.85 -1.156 . . . . 0.0 112.212 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.3 pt20 36.62 42.21 0.2 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.701 -1.25 . . . . 0.0 113.183 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.27 154.78 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.092 -1.005 . . . . 0.0 108.467 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -84.19 131.56 34.75 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.246 -0.909 . . . . 0.0 110.077 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.75 149.55 37.62 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.231 -0.918 . . . . 0.0 110.639 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.2 Cg_endo -62.9 153.25 74.39 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.372 1.381 . . . . 0.0 112.267 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.23 18.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.474 -0.766 . . . . 0.0 110.458 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 43' ' ' PRO . 14.0 t -64.16 -18.11 64.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.312 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.6 mtp -100.89 -7.36 23.55 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.3 -0.875 . . . . 0.0 109.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -81.24 130.79 35.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.387 -0.82 . . . . 0.0 110.503 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -131.36 150.07 52.29 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -41.55 -85.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 110.942 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.66 -172.54 32.56 Favored Glycine 0 N--CA 1.493 2.462 0 O-C-N 121.049 -1.032 . . . . 0.0 111.229 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -90.69 141.01 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.766 -0.843 . . . . 0.0 109.339 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -80.48 152.66 28.62 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.05 162.46 34.08 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.914 -1.116 . . . . 0.0 110.606 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -149.97 158.93 44.66 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.351 0.595 . . . . 0.0 109.945 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -56.11 139.75 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.388 -0.82 . . . . 0.0 109.223 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' NH1' ' OP1' ' C' ' 126' ' ' ' DC' . 38.6 mtp180 -64.9 127.01 29.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.351 -0.843 . . . . 0.0 110.51 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 56.0 pttt -65.12 160.68 20.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.709 -0.619 . . . . 0.0 109.426 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 59' ' ' SER . 14.3 p -46.17 163.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 110.08 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.511 ' N ' HG22 ' A' ' 58' ' ' VAL . 3.0 t -92.78 115.41 28.09 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -125.9 112.04 15.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.437 -0.789 . . . . 0.0 109.765 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.74 -37.03 76.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -137.88 163.4 25.58 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -60.35 -39.52 87.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.953 -1.322 . . . . 0.0 109.575 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -169.92 113.5 0.49 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.152 -0.968 . . . . 0.0 108.875 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -108.94 128.79 55.24 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.22 -0.925 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.593 HH11 ' HG2' ' A' ' 66' ' ' ARG . 1.5 ptt-85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.042 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.844 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.517 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.498 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.836 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.253 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.525 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.032 1 O4'-C1'-N19 112.251 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 112.473 5.841 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-N19 112.184 5.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.966 0 C3'-C2'-C1' 106.908 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.05 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 1 O4'-C1'-N19 111.805 5.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 1 O4'-C1'-N19 111.273 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.696 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.185 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 1 O4'-C1'-N19 111.63 4.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.541 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 1 O4'-C1'-N19 111.312 4.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.541 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.348 4.435 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.533 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.332 1 O4'-C1'-N19 111.549 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.932 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.457 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 1 O4'-C1'-N19 112.791 6.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.422 H5'' ' NE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.281 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.958 3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.457 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 110.382 3.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 1 O4'-C1'-N19 111.664 4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -6.01 51.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.319 -0.863 . . . . 0.0 109.148 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.48 111.93 7.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 0.0 110.895 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.6 -10.84 58.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -68.1 114.84 6.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.725 -1.456 . . . . 0.0 110.326 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.62 142.42 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 43.7 t -63.97 119.05 9.36 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 120.79 -1.193 . . . . 0.0 110.395 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.6 m -60.59 -40.1 90.52 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.83 -0.543 . . . . 0.0 110.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -77.42 -38.68 49.18 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.066 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.7 p -128.59 13.57 6.47 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 120.291 1.405 . . . . 0.0 112.428 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 92.4 mt-30 56.04 0.06 0.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.695 -1.253 . . . . 0.0 113.537 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 12.3 t -63.68 154.18 33.83 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 119.993 -1.692 . . . . 0.0 108.471 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -127.96 3.07 5.94 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.288 -0.882 . . . . 0.0 108.774 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.0 p -100.34 49.17 0.91 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.565 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -78.92 144.47 34.84 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.315 -0.865 . . . . 0.0 111.54 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 30.9 p -77.49 -36.51 52.6 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.852 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.8 tp -141.94 130.9 23.09 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 15' ' ' THR . 45.0 m95 -80.86 125.24 29.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.678 -1.264 . . . . 0.0 109.242 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.852 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -117.2 129.34 55.87 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -82.5 148.06 28.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 119.987 -1.696 . . . . 0.0 106.854 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.73 157.04 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 120.963 -1.086 . . . . 0.0 109.582 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -50.29 -23.09 9.41 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.265 1.31 . . . . 0.0 112.104 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -90.72 -15.19 30.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.53 25.01 9.58 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.83 119.38 54.72 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.269 -1.136 . . . . 0.0 109.707 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -51.21 127.98 23.79 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 CA-C-N 120.154 1.091 . . . . 0.0 112.655 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.08 158.15 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.218 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -81.32 155.68 25.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.084 -1.01 . . . . 0.0 109.126 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 49.9 t-20 -49.93 -30.95 11.24 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.231 -0.918 . . . . 0.0 111.967 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.57 -50.19 16.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.253 -1.53 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.16 -40.54 81.66 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.603 -1.311 . . . . 0.0 109.618 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.92 69.37 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.163 -1.494 . . . . 0.0 110.229 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.18 -49.89 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.129 -1.218 . . . . 0.0 110.197 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.07 -42.19 94.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.856 -1.153 . . . . 0.0 109.602 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -69.52 -47.72 62.85 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 121.411 -0.806 . . . . 0.0 110.184 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.1 -42.37 94.53 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.954 -1.716 . . . . 0.0 110.026 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.12 -42.1 73.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.022 -1.049 . . . . 0.0 111.402 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.533 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 76.1 m-70 -115.77 1.41 13.44 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 120.769 -1.207 . . . . 0.0 112.178 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 pm0 32.97 46.63 0.09 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.885 -1.134 . . . . 0.0 113.478 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 38' ' ' HIS . 11.3 m -140.88 150.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 108.683 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.19 139.41 31.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.743 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.24 150.03 62.55 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.135 -0.978 . . . . 0.0 109.258 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' C ' ' H ' ' A' ' 45' ' ' THR . 4.4 Cg_exo -51.71 150.47 16.88 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 120.783 0.989 . . . . 0.0 113.357 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.06 7.22 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.445 -0.784 . . . . 0.0 110.147 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.541 ' H ' ' C ' ' A' ' 43' ' ' PRO . 13.1 t -63.18 -12.24 26.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 108.631 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tpt -95.58 -11.95 26.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.197 -0.939 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' NH1' ' O ' ' A' ' 10' ' ' CYS . 70.4 ttt180 -81.05 130.82 35.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.74 -0.6 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 50' ' ' GLY . 19.4 mmmt -117.8 131.03 56.62 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.41 -0.806 . . . . 0.0 109.086 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -52.95 2.11 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.371 -0.83 . . . . 0.0 112.452 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.88 169.82 31.28 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 120.636 -1.29 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 14' ' ' THR . 33.3 mt -90.38 129.45 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -1.087 . . . . 0.0 108.811 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.32 151.29 28.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.502 -0.749 . . . . 0.0 109.356 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 167.85 20.45 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.583 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -152.71 163.0 40.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -54.19 135.84 43.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 108.906 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' A' ' 56' ' ' ARG . 5.8 tpt180 -56.24 121.23 9.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 109.717 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -64.77 -167.9 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 0.0 109.507 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.7 142.09 16.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.8 p -81.92 67.67 8.0 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.0 t -74.31 125.92 29.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.538 -0.726 . . . . 0.0 110.295 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -145.96 127.32 14.93 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.34 95.78 1.58 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -149.9 119.73 7.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.269 -1.136 . . . . 0.0 109.587 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -129.14 142.63 50.82 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.293 -0.879 . . . . 0.0 108.921 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 65' ' ' ARG . 48.8 mtm-85 -72.54 137.5 46.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.054 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.653 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.68 3.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.869 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.515 3.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.545 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.925 1 O4'-C1'-N19 112.476 5.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.453 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.195 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.349 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.608 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.41 " H4'" ' HE ' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.747 4.933 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.671 0 C3'-C2'-C1' 106.974 3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 1 O4'-C1'-N19 111.17 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.493 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.339 3.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.586 3.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.578 4.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.551 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.551 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 112.296 5.62 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.537 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.463 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.464 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.469 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.193 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.469 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.071 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 112.061 5.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.441 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.577 3.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 1 O4'-C1'-N19 111.112 4.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 1 O4'-C1'-N19 111.351 4.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.527 ' O ' ' OG1' ' A' ' 5' ' ' THR . 41.7 mmtm . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -44.18 -24.6 0.17 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.651 -0.655 . . . . 0.0 110.302 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -80.76 101.77 9.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 109.41 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.09 2.51 64.27 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.527 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 16.2 m -63.43 120.36 11.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.725 -1.456 . . . . 0.0 110.845 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.95 141.87 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.0 t -64.44 117.15 6.89 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.468 -1.395 . . . . 0.0 110.3 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 m -59.91 -40.05 87.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.462 -0.774 . . . . 0.0 110.478 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' HB3' HH12 ' A' ' 42' ' ' ARG . 94.1 m-20 -75.41 -38.67 59.73 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.212 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.4 p -130.79 12.43 5.28 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 120.318 1.417 . . . . 0.0 112.258 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' CYS . 28.7 mm100 59.33 1.49 0.25 Allowed 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -60.8 144.8 51.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.75 -1.844 . . . . 0.0 107.759 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -108.13 -3.22 18.79 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -106.55 121.38 44.19 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.51 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.8 p -144.59 148.86 34.89 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.074 -1.016 . . . . 0.0 110.121 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.5 p -74.12 -42.39 60.11 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.869 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 11.8 tp -143.67 130.88 20.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.202 -0.936 . . . . 0.0 108.691 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CZ3' HG21 ' A' ' 15' ' ' THR . 65.6 m95 -77.37 127.56 32.78 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.836 -1.165 . . . . 0.0 108.801 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.628 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -115.18 120.66 40.48 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.551 -0.718 . . . . 0.0 109.938 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 20' ' ' ARG . 5.1 tpt180 -71.71 143.14 49.76 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -89.0 152.4 48.29 Favored Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 120.83 -1.169 . . . . 0.0 109.701 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -49.24 -22.82 6.02 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.13 1.22 . . . . 0.0 112.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' OD2' ' A' ' 25' ' ' ASP . 25.9 ptm -92.47 -14.41 28.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.336 -0.853 . . . . 0.0 109.776 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.24 23.13 10.71 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' OD2' ' SD ' ' A' ' 23' ' ' MET . 35.9 m-20 -103.35 117.22 60.69 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.03 -1.277 . . . . 0.0 108.825 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -53.05 135.14 58.33 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 120.283 1.137 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG11 ' ND2' ' A' ' 9' ' ' ASN . 5.1 m -139.88 159.65 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 O-C-N 121.109 -0.994 . . . . 0.0 110.246 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.4 153.06 25.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.218 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -49.96 -32.02 13.93 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.96 -1.088 . . . . 0.0 112.123 -176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -51.77 28.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.319 -1.488 . . . . 0.0 110.312 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 m -57.06 -43.85 82.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.969 -1.082 . . . . 0.0 110.567 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.83 -51.54 54.58 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.601 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.215 -1.168 . . . . 0.0 109.885 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.06 -41.7 92.91 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 109.551 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 39' ' ' GLN . 19.9 t80 -68.89 -48.12 64.15 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.659 -0.651 . . . . 0.0 110.44 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.02 -41.2 91.68 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 120.013 -1.68 . . . . 0.0 110.6 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.81 -38.58 76.66 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.052 -1.03 . . . . 0.0 110.871 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.0 m-70 -119.49 -9.16 9.9 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.042 -1.036 . . . . 0.0 112.097 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.705 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.3 tt0 43.02 51.2 5.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.353 -1.467 . . . . 0.0 111.123 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.84 152.04 13.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -85.78 132.61 34.09 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.177 -0.952 . . . . 0.0 108.862 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.833 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -119.61 150.0 49.22 Favored Pre-proline 0 N--CA 1.507 2.4 0 O-C-N 121.326 -0.859 . . . . 0.0 109.47 -179.604 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -51.66 150.33 16.94 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 120.677 0.918 . . . . 0.0 113.633 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.569 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp -67.08 -19.12 65.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.837 -0.539 . . . . 0.0 110.646 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 2.0 t -43.53 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.09 -1.006 . . . . 0.0 110.318 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 44' ' ' LEU . 75.6 mmm -78.52 -46.64 19.07 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.026 -1.046 . . . . 0.0 110.189 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -81.33 169.23 17.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.88 . . . . 0.0 111.105 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -137.86 164.29 29.33 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -49.09 -79.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.913 . . . . 0.0 109.81 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.23 -176.73 24.55 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.25 135.91 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.368 -1.078 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -78.2 153.4 32.02 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.3 162.7 33.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.683 -1.261 . . . . 0.0 110.503 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HE ' " H4'" ' B' ' 112' ' ' ' DA' . 27.4 tpt180 -149.66 155.52 40.36 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.06 137.59 46.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.193 -0.942 . . . . 0.0 108.842 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -59.14 126.91 29.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.914 . . . . 0.0 110.436 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -68.28 -169.16 0.13 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.65 -0.656 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.96 134.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -79.26 109.78 13.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.859 -1.151 . . . . 0.0 108.997 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.9 t -109.59 124.84 51.82 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 63' ' ' LYS . 23.4 mtmm -127.43 143.62 51.18 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.51 50.65 0.62 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' LYS . 76.9 tttt -60.01 -40.97 91.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.175 -1.191 . . . . 0.0 108.776 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -70.18 -25.62 63.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.415 -0.803 . . . . 0.0 109.279 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 65' ' ' ARG . 7.1 mmt-85 -73.1 149.31 43.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 109.885 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 66' ' ' ARG . 23.8 mmt-85 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.859 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.646 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.487 3.359 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.817 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.539 3.467 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 112.06 5.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.559 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.502 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.312 0 O4'-C1'-N19 110.54 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.5 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.491 " O3'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 O4'--C1' 1.451 2.368 1 O4'-C1'-N19 112.45 5.813 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.408 " H5'" HH22 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.893 0 C4'-C3'-C2' 106.148 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.568 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.66 1 O4'-C1'-N19 111.471 4.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.9 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.138 2.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.568 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.297 4.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.567 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.899 5.123 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.492 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.946 1 O4'-C1'-N19 111.556 4.694 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.691 ' OP2' ' CE1' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.271 1 O4'-C1'-N19 111.306 4.382 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.518 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 O4'--C1' 1.449 2.215 1 O4'-C1'-N19 111.57 4.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.525 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.91 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.534 " O3'" ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 112.328 5.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.103 0 C3'-C2'-C1' 107.36 3.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.448 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.543 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.252 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.806 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.452 ' O ' ' OG1' ' A' ' 5' ' ' THR . 1.3 mmp_? -69.87 -36.02 75.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' ARG . . . -36.22 115.78 0.36 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.392 0.615 . . . . 0.0 110.946 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 1.03 62.63 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.214 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 2' ' ' ARG . 32.3 m -59.47 120.81 10.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.572 -1.546 . . . . 0.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 m -116.46 140.03 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.2 t -62.95 118.55 7.96 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.592 -1.317 . . . . 0.0 110.494 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -60.14 -40.03 88.42 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.087 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.569 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -76.16 -39.69 54.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.956 -1.09 . . . . 0.0 112.481 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 12' ' ' THR . 10.6 p -128.31 15.13 6.68 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.691 -1.256 . . . . 0.0 112.312 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 95.2 mt-30 56.1 0.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.846 -1.159 . . . . 0.0 113.301 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.41 HG22 ' SG ' ' A' ' 10' ' ' CYS . 5.8 t -65.37 153.11 42.15 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.962 -1.711 . . . . 0.0 109.434 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 t -114.01 -7.96 13.08 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 121.201 -0.937 . . . . 0.0 109.191 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -97.5 118.64 34.43 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.6 p -145.08 147.42 32.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 p -77.14 -37.18 54.5 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 8.7 tp -149.06 131.14 15.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 15' ' ' THR . 79.8 m95 -78.94 129.31 34.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 108.925 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.816 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.3 mmt180 -113.65 122.68 47.92 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.222 -0.924 . . . . 0.0 109.514 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -71.94 140.53 49.22 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.029 -1.67 . . . . 0.0 107.536 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.34 160.48 37.01 Favored Pre-proline 0 N--CA 1.506 2.374 0 O-C-N 120.809 -1.182 . . . . 0.0 109.597 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.18 -20.76 15.12 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 121.305 1.337 . . . . 0.0 112.721 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -96.51 -8.32 32.35 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.016 . . . . 0.0 109.554 -179.746 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.29 27.78 19.44 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.041 -1.623 . . . . 0.0 109.041 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 5.9 m-20 -103.41 109.93 62.79 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.16 134.47 30.36 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.04 1.05 . . . . 0.0 113.357 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.569 HG11 ' ND2' ' A' ' 9' ' ' ASN . 12.5 m -138.35 159.81 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.872 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -81.92 157.86 24.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.851 -1.156 . . . . 0.0 109.952 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.816 ' ND2' HH21 ' A' ' 19' ' ' ARG . 51.1 t-20 -49.79 -42.27 46.36 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.488 -0.758 . . . . 0.0 112.111 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.08 59.15 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.594 -1.316 . . . . 0.0 110.658 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 35' ' ' TYR . 29.5 m -54.85 -45.87 74.6 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.803 -1.186 . . . . 0.0 110.699 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.04 67.07 Favored Glycine 0 C--N 1.284 -2.33 0 C-N-CA 119.162 -1.494 . . . . 0.0 110.983 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.84 -58.99 3.22 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.038 -1.272 . . . . 0.0 111.254 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 56.7 t80 -60.1 -42.25 94.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.62 -1.3 . . . . 0.0 110.242 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.9 t80 -64.7 -44.8 89.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.984 -1.072 . . . . 0.0 109.172 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.06 -43.69 95.23 Favored 'General case' 0 C--N 1.291 -1.978 0 O-C-N 120.287 -1.508 . . . . 0.0 109.983 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.76 -39.97 63.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.198 -0.939 . . . . 0.0 111.611 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.691 ' CE1' ' OP2' ' C' ' 122' ' ' ' DT' . 38.2 m80 -114.25 -6.66 12.99 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.1 -1.0 . . . . 0.0 112.358 -176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 35.58 48.9 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.861 -1.15 . . . . 0.0 112.723 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 38' ' ' HIS . 6.2 m -136.45 143.34 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.198 -0.939 . . . . 0.0 108.789 177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -87.82 137.21 32.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.702 -0.624 . . . . 0.0 109.539 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 15.9 mmm180 -107.02 150.47 39.87 Favored Pre-proline 0 N--CA 1.506 2.356 0 O-C-N 121.019 -1.051 . . . . 0.0 108.827 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' THR . 10.2 Cg_endo -63.0 45.8 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 120.567 0.845 . . . . 0.0 113.245 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' ARG . 8.9 mp 45.87 13.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.232 -0.918 . . . . 0.0 111.703 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' PRO . 9.7 t -73.11 -10.1 59.42 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 120.585 -1.322 . . . . 0.0 109.384 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.662 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.8 tpt -97.72 -18.13 19.01 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.348 -0.845 . . . . 0.0 111.12 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -68.9 140.08 55.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.352 -1.467 . . . . 0.0 110.622 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 50' ' ' GLY . 8.0 mtmp? -115.01 128.68 56.42 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.61 6.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 111.282 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.19 167.04 30.66 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.634 -1.291 . . . . 0.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -94.64 114.69 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.322 -1.105 . . . . 0.0 108.188 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.2 167.09 22.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.172 -1.58 . . . . 0.0 110.187 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.31 161.09 36.75 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.508 0.671 . . . . 0.0 109.618 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' NH2' " O3'" ' B' ' 112' ' ' ' DA' . 23.5 mtp180 -146.78 162.2 39.06 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.464 0.649 . . . . 0.0 109.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -58.52 140.57 53.91 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.329 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' NH1' " O3'" ' C' ' 125' ' ' ' DT' . 20.0 mmt180 -62.01 127.14 29.98 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.424 -0.798 . . . . 0.0 109.472 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' A' ' 57' ' ' LYS . 41.5 pttt -66.12 -169.36 0.07 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.079 . . . . 0.0 110.054 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -48.66 146.77 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.2 p -82.77 154.71 24.62 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.953 -1.092 . . . . 0.0 109.089 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 t -150.24 55.33 0.93 Allowed 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.24 -36.39 81.85 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.16 0.505 . . . . 0.0 109.919 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.96 178.85 31.43 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -155.91 159.98 39.75 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.384 -1.068 . . . . 0.0 109.168 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -66.5 126.8 30.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.072 -1.017 . . . . 0.0 109.254 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 65' ' ' ARG . 13.8 ttt-85 -149.7 109.77 4.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 108.681 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.628 -179.446 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.843 3.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.415 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.474 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.415 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.699 4.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.508 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.565 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C1'-N19 112.29 5.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.412 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.205 1 O4'-C1'-N19 111.608 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.488 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.934 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.57 4.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 0 C3'-C2'-C1' 106.894 2.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.527 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.385 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.409 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.527 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.08 1 O4'-C1'-N19 111.319 4.399 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.481 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.481 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.918 5.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.556 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.256 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.169 0 O4'-C1'-N19 110.642 3.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.412 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.558 1 O4'-C1'-N19 112.272 5.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.407 ' OP1' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.422 3.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 1 O4'-C1'-N19 111.463 4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.508 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.352 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.413 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 mttp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.448 HH12 ' HB2' ' A' ' 18' ' ' TRP . 18.9 mmt180 -69.51 -33.81 73.37 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.64 118.48 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.19 0.519 . . . . 0.0 111.035 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.3 -7.66 77.57 Favored Glycine 0 N--CA 1.499 2.838 0 O-C-N 121.142 -0.973 . . . . 0.0 111.142 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -68.31 111.85 4.84 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.85 -1.382 . . . . 0.0 109.734 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.57 142.86 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.3 t -61.83 116.07 4.53 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 120.7 -1.25 . . . . 0.0 110.197 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -60.02 -39.02 84.4 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.479 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' ND2' HG11 ' A' ' 27' ' ' VAL . 92.6 m-20 -76.24 -39.31 54.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.826 -1.171 . . . . 0.0 112.47 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.7 p -129.49 11.12 5.76 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-N 120.627 1.558 . . . . 0.0 112.654 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.2 tt0 64.2 -2.6 0.57 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.822 -1.174 . . . . 0.0 113.684 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -61.66 159.17 13.84 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 119.431 -2.043 . . . . 0.0 109.019 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -135.59 13.05 3.46 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.923 -1.111 . . . . 0.0 108.688 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 10.5 p -114.79 48.95 1.08 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.528 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.86 148.14 36.68 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.233 -0.917 . . . . 0.0 112.071 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -78.47 -39.05 39.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 3.6 tp -143.42 130.31 20.49 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 15' ' ' THR . 77.9 m95 -81.25 128.24 33.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.972 -1.08 . . . . 0.0 109.067 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.686 HH21 ' ND2' ' A' ' 29' ' ' ASN . 22.8 mmt180 -113.84 115.36 27.62 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.493 -0.754 . . . . 0.0 109.066 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 19.8 tpt180 -66.25 141.55 57.99 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -91.11 151.79 43.46 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 120.868 -1.145 . . . . 0.0 109.29 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -47.28 -24.65 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.288 1.326 . . . . 0.0 113.304 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -90.47 -17.34 27.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.256 -0.903 . . . . 0.0 109.521 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 101.61 23.15 9.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -101.13 111.67 63.84 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.192 -1.181 . . . . 0.0 109.479 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -48.5 129.49 19.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 CA-C-N 120.167 1.095 . . . . 0.0 112.647 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.491 HG11 ' ND2' ' A' ' 9' ' ' ASN . 16.1 m -135.98 160.29 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 O-C-N 121.327 -0.858 . . . . 0.0 110.086 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.93 158.85 22.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.03 -1.044 . . . . 0.0 111.211 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.686 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.0 t-20 -44.3 -46.22 9.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.879 -178.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -67.97 -51.29 49.1 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.806 -1.184 . . . . 0.0 111.298 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.1 m -55.42 -46.49 76.66 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.687 -1.258 . . . . 0.0 109.372 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.21 59.62 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 119.327 -1.416 . . . . 0.0 110.425 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -52.83 21.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.069 -1.254 . . . . 0.0 110.344 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE2' ' OP1' ' C' ' 122' ' ' ' DT' . 20.2 t80 -59.98 -47.44 85.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.794 -1.191 . . . . 0.0 109.534 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.3 t80 -60.07 -45.17 93.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.98 -47.84 84.16 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 119.922 -1.737 . . . . 0.0 110.308 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.5 mp -70.17 -40.04 74.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.014 -1.054 . . . . 0.0 111.325 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 76.4 m-70 -108.14 -20.09 13.27 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.954 -1.091 . . . . 0.0 112.288 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 35' ' ' TYR . 54.0 tt0 47.49 52.95 11.73 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.347 -1.471 . . . . 0.0 111.188 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -150.02 150.28 13.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -85.92 134.15 33.9 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.121 -0.987 . . . . 0.0 109.265 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -120.09 152.5 54.46 Favored Pre-proline 0 N--CA 1.508 2.448 0 O-C-N 121.265 -0.897 . . . . 0.0 109.863 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.9 Cg_endo -58.94 152.44 58.17 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.094 1.863 . . . . 0.0 113.06 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.0 mp -66.12 24.52 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.491 -0.756 . . . . 0.0 111.082 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -62.42 -14.82 44.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.666 -1.271 . . . . 0.0 109.558 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.509 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 63.5 mmm -100.86 -14.63 17.88 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.285 -0.885 . . . . 0.0 110.404 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.707 HH12 ' HB3' ' A' ' 30' ' ' ALA . 2.4 mmp_? -83.11 136.26 34.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.048 -1.033 . . . . 0.0 112.023 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.7 mtpt -134.54 157.52 46.32 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LYS . 32.1 m-20 -41.73 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.551 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.42 -172.41 19.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.5 mt -90.69 145.16 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 121.136 -1.214 . . . . 0.0 109.251 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -71.96 147.3 47.08 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.05 158.55 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.856 -1.152 . . . . 0.0 110.185 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 55' ' ' ASN . 38.0 ttm180 -152.2 163.37 39.53 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.814 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 74.3 m-80 -49.6 132.72 21.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.137 -0.977 . . . . 0.0 108.502 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' NH1' ' OP1' ' C' ' 126' ' ' ' DC' . 66.5 ttt180 -59.01 131.65 51.69 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.705 0.764 . . . . 0.0 111.365 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.17 157.27 3.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.764 -0.585 . . . . 0.0 109.983 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.87 143.43 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.063 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.7 p -75.0 125.27 28.57 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.239 -0.913 . . . . 0.0 109.029 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 t -130.93 126.98 37.53 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.455 -0.778 . . . . 0.0 109.56 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -138.3 139.85 39.31 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.64 153.94 46.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -78.32 164.79 24.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.415 -1.05 . . . . 0.0 108.685 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -54.32 133.39 45.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.945 -1.097 . . . . 0.0 109.673 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -116.67 14.82 15.45 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.585 -0.697 . . . . 0.0 109.616 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.764 -179.866 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.619 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.286 0 O4'-C1'-N19 110.552 3.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.416 ' H72' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.263 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.077 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.018 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.619 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.949 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.599 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 2.035 1 O4'-C1'-N19 112.559 5.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.573 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.637 0 O4'-C1'-N19 110.987 3.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.469 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.641 1 O4'-C1'-N19 111.333 4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.412 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.587 " C4'" HH21 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.618 1 O4'-C1'-N19 112.389 5.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.413 " H5'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.577 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.759 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.33 1 O4'-C1'-N19 111.464 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.647 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.577 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.992 1 O4'-C1'-N19 111.706 4.882 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.519 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.962 5.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.519 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.424 " H2'" ' H72' ' C' ' 123' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.387 4.483 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.424 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.432 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-N19 110.955 3.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.462 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 112.121 5.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.498 ' H42' ' H61' ' B' ' 108' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.037 0 C3'-C2'-C1' 107.315 3.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.406 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.466 3.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.219 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 3' ' ' ALA . 47.2 pttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.646 0.736 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 18.43 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.07 -1.019 . . . . 0.0 108.992 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 1' ' ' LYS . . . -89.68 107.24 18.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.323 -0.861 . . . . 0.0 108.849 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 14.37 40.38 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.144 -1.983 . . . . 0.0 108.144 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -61.09 119.86 9.16 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.28 -1.129 . . . . 0.0 110.42 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.15 140.74 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.1 t -66.16 118.99 10.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.652 -1.28 . . . . 0.0 110.53 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -60.84 -39.97 91.06 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.565 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.483 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.7 m120 -72.33 -39.92 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.941 -1.1 . . . . 0.0 112.234 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 12' ' ' THR . 15.7 p -129.04 7.16 5.49 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 120.37 1.441 . . . . 0.0 112.208 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 7' ' ' CYS . 38.7 tp60 62.23 1.67 0.74 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.327 -1.483 . . . . 0.0 112.74 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -64.23 154.03 36.23 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.119 -1.613 . . . . 0.0 108.244 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -114.09 -4.27 13.18 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.045 -1.035 . . . . 0.0 109.074 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -103.73 120.56 41.19 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.427 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.4 p -145.43 148.34 33.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.092 -1.005 . . . . 0.0 109.841 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -74.82 -41.16 60.45 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 5.9 tp -145.62 131.09 18.71 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CZ3' HG21 ' A' ' 15' ' ' THR . 78.2 m95 -77.87 128.62 34.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.711 HH21 ' ND2' ' A' ' 29' ' ' ASN . 28.3 mmt180 -111.85 178.15 4.41 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -131.99 140.95 49.12 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.83 161.82 32.7 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 120.827 -1.171 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -52.67 -18.02 8.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.455 1.436 . . . . 0.0 113.099 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.3 -2.72 41.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.94 -1.1 . . . . 0.0 109.698 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.48 27.36 27.6 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.6 117.16 65.67 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.207 -1.172 . . . . 0.0 109.69 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -52.1 138.15 53.67 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 CA-C-N 119.987 1.031 . . . . 0.0 112.007 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.1 m -143.28 159.81 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.228 -0.92 . . . . 0.0 110.342 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.7 159.73 21.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.109 -0.995 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.711 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.2 t-20 -47.68 -38.0 14.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.495 -0.753 . . . . 0.0 111.931 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -50.56 18.35 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.611 -1.306 . . . . 0.0 111.488 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' HH21 ' A' ' 42' ' ' ARG . 65.3 m -57.78 -43.12 85.37 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.451 -1.405 . . . . 0.0 109.849 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.57 -53.78 36.72 Favored Glycine 0 N--CA 1.484 1.851 0 C-N-CA 119.315 -1.421 . . . . 0.0 110.421 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.84 -47.61 74.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -1.148 . . . . 0.0 110.734 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.791 -1.193 . . . . 0.0 109.258 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.2 t80 -62.22 -49.09 77.14 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.717 0.77 . . . . 0.0 110.298 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -57.01 -41.74 79.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.046 -1.034 . . . . 0.0 111.704 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.0 -49.97 75.56 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.242 -1.536 . . . . 0.0 109.709 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 73.8 m-70 -101.7 -71.19 0.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER 116.15 55.44 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 124.082 0.953 . . . . 0.0 110.034 -179.591 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -147.43 160.65 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -84.59 153.1 23.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 108.668 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.09 149.95 61.82 Favored Pre-proline 0 N--CA 1.507 2.421 0 O-C-N 120.962 -1.086 . . . . 0.0 109.659 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -48.9 151.6 5.38 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 120.74 0.96 . . . . 0.0 112.779 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.35 7.93 2.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.26 -0.9 . . . . 0.0 109.229 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.4 p -64.13 -12.7 42.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 108.847 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttt -96.48 -7.48 34.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -80.18 131.36 35.7 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.421 0.629 . . . . 0.0 110.665 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 50' ' ' GLY . 61.4 tttm -122.73 139.69 53.7 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 4.37 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.126 -0.984 . . . . 0.0 111.029 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.9 175.99 31.98 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.46 135.63 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.079 -1.248 . . . . 0.0 108.575 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.97 153.73 34.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 108.452 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.03 159.63 41.32 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.948 -1.095 . . . . 0.0 110.057 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.587 HH21 " C4'" ' B' ' 112' ' ' ' DA' . 9.2 ptm180 -152.3 176.4 11.65 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.371 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.06 135.36 57.75 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.137 -0.977 . . . . 0.0 108.708 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 92.3 mtt180 -70.04 138.4 52.1 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.545 0.688 . . . . 0.0 112.503 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 28.8 ttmt -40.44 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.05 131.14 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -50.34 127.7 17.95 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.745 -1.222 . . . . 0.0 111.074 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -53.37 -59.96 3.9 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.46 0.648 . . . . 0.0 109.286 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -157.81 125.37 5.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.421 -0.799 . . . . 0.0 109.753 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.24 37.66 0.07 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.352 -1.087 . . . . 0.0 109.965 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.08 142.42 52.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.142 -0.974 . . . . 0.0 109.722 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 65' ' ' ARG . 11.4 mmt-85 -78.56 137.04 37.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.025 -1.047 . . . . 0.0 108.81 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.562 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.418 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.457 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.457 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.145 4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.489 ' OP2' ' NH2' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.849 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.87 3.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.534 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.136 1 O4'-C1'-N19 113.015 6.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.422 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 O4'-C1'-N19 110.568 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 112.423 5.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.488 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.709 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 1 O4'-C1'-N19 111.281 4.351 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 O4'-C1'-N19 110.633 3.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.825 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.417 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.601 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.488 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.962 1 O4'-C1'-N19 111.639 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.474 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 112.205 5.506 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.68 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.543 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.322 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.408 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.222 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.741 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.91 0 O4'-C1'-N19 110.371 3.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.242 4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.472 0 O4'-C1'-N19 110.618 3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 1 O4'-C1'-N19 111.576 4.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.869 0 O4'-C1'-N19 110.794 3.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 1 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.489 ' NH2' ' OP2' ' B' ' 105' ' ' ' DC' . 8.2 mpt_? -101.52 -0.5 34.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.422 -0.799 . . . . 0.0 109.949 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.54 114.06 12.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.044 -1.035 . . . . 0.0 110.663 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 -12.31 44.04 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -69.16 110.45 4.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.661 -1.494 . . . . 0.0 110.018 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -121.21 141.37 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.0 t -61.9 120.18 10.25 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.817 -1.177 . . . . 0.0 110.931 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.698 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -77.93 -39.18 43.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.324 -0.95 . . . . 0.0 112.344 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.9 p -128.37 12.06 6.44 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 120.117 1.326 . . . . 0.0 112.254 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' CYS . 47.8 mt-30 55.33 -1.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.828 -1.17 . . . . 0.0 112.867 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 10' ' ' CYS . 6.0 t -61.71 155.54 22.49 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.214 -1.554 . . . . 0.0 107.902 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.5 p -131.92 10.92 4.67 Favored 'General case' 0 N--CA 1.509 2.518 0 O-C-N 120.884 -1.135 . . . . 0.0 109.706 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 17.8 p -110.01 47.66 0.94 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.245 -0.909 . . . . 0.0 108.596 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.511 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -77.93 148.52 34.49 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.615 -0.678 . . . . 0.0 111.483 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.431 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 15.9 p -76.59 -37.92 55.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.849 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 7.3 tp -141.18 131.19 24.59 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 15' ' ' THR . 29.8 m95 -79.72 129.54 34.56 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.905 -1.122 . . . . 0.0 109.163 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.564 HH12 HD23 ' A' ' 17' ' ' LEU . 4.4 mmt-85 -114.17 179.77 3.86 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.49 0.662 . . . . 0.0 109.727 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -131.68 143.56 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.51 159.59 38.56 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.126 -0.984 . . . . 0.0 108.81 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -16.3 5.97 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.238 1.292 . . . . 0.0 112.038 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -94.48 -10.61 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.325 -0.859 . . . . 0.0 109.994 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.35 24.56 26.15 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.8 m-20 -99.21 116.66 64.98 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.467 -1.02 . . . . 0.0 109.276 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -49.42 131.55 27.79 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.023 1.044 . . . . 0.0 112.372 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.53 159.39 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.432 -0.792 . . . . 0.0 110.125 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 p -82.64 154.77 24.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.154 -0.966 . . . . 0.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.02 -31.6 13.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.259 -0.901 . . . . 0.0 111.078 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.74 15.92 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.709 -1.244 . . . . 0.0 111.001 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.5 m -58.37 -41.21 84.28 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.398 -1.439 . . . . 0.0 110.454 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.14 64.75 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 118.621 -1.752 . . . . 0.0 109.608 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.99 -51.32 33.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.44 -1.035 . . . . 0.0 110.549 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 15.1 t80 -60.01 -47.55 85.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.123 . . . . 0.0 109.893 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.0 t80 -60.0 -45.48 92.62 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.694 0.759 . . . . 0.0 109.848 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -60.07 -41.31 92.12 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 120.082 -1.636 . . . . 0.0 110.526 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.78 -40.97 72.3 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.851 -1.156 . . . . 0.0 111.989 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.68 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 72.5 m-70 -114.78 -10.35 12.41 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.889 -1.132 . . . . 0.0 111.36 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.8 tt0 43.55 53.68 5.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.656 -1.277 . . . . 0.0 111.449 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 m -149.13 156.4 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -85.6 124.63 32.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.772 -1.205 . . . . 0.0 109.438 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -96.58 131.96 27.24 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.205 -0.935 . . . . 0.0 109.819 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -45.51 152.2 0.92 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 119.968 1.024 . . . . 0.0 113.01 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.41 5.41 1.78 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.476 -0.765 . . . . 0.0 111.337 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -58.45 -13.22 4.98 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 110.248 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ttt -94.31 -11.23 30.51 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.933 -1.104 . . . . 0.0 110.275 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -79.74 138.01 37.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.787 -1.196 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.3 mtpm? -124.31 142.51 51.21 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.25 2.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.325 -0.859 . . . . 0.0 112.349 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -152.32 171.99 31.55 Favored Glycine 0 N--CA 1.495 2.616 0 O-C-N 120.41 -1.431 . . . . 0.0 109.958 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -87.87 136.17 23.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 O-C-N 121.26 -1.141 . . . . 0.0 109.055 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.78 146.04 31.16 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.74 159.29 42.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.933 -1.104 . . . . 0.0 109.206 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -150.76 156.57 41.56 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -53.77 139.88 31.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.452 -0.78 . . . . 0.0 109.423 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -62.59 131.24 48.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.423 -0.798 . . . . 0.0 110.665 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -70.26 -168.66 0.24 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 111.023 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.0 m -55.72 145.26 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.629 -0.67 . . . . 0.0 109.756 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -89.33 57.95 4.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 0.0 108.621 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 t -61.53 -36.81 81.61 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.679 0.752 . . . . 0.0 109.027 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.89 -39.81 86.6 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.98 43.49 2.26 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -87.88 122.51 31.59 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.281 . . . . 0.0 110.174 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -142.23 154.4 44.75 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 65' ' ' ARG . 14.8 ptt-85 -80.04 6.94 10.11 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.974 -1.079 . . . . 0.0 109.333 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' HE ' ' CA ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.672 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.602 4.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.472 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.529 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.165 0 C3'-C2'-C1' 107.276 3.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.565 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.447 2.063 1 O4'-C1'-N19 112.232 5.54 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.565 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.363 3.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.405 ' H71' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.07 4.088 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.617 1 O4'-C1'-N19 111.907 5.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 112.382 5.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.796 0 O4'-C1'-N19 110.271 3.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.479 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.551 1 O4'-C1'-N19 112.402 5.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 1 O4'-C1'-N19 111.197 4.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.492 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 112.114 5.392 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.492 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 112.194 5.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.501 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.413 1 O4'-C1'-N19 112.103 5.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.492 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.492 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.212 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.529 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.2 0 O4'-C1'-N19 110.489 3.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.425 3.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.813 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 tttm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -99.59 -11.07 21.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.227 -0.92 . . . . 0.0 109.804 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.77 120.01 15.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.159 -0.963 . . . . 0.0 110.725 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.46 -16.4 10.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -62.89 119.95 10.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -1.205 . . . . 0.0 110.619 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -121.5 140.65 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.5 t -62.86 117.23 6.08 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 120.804 -1.185 . . . . 0.0 110.413 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.7 m -60.19 -39.94 88.27 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 109.988 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.411 ' H ' HG12 ' A' ' 27' ' ' VAL . 75.8 m-20 -74.05 -39.16 63.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.879 -1.138 . . . . 0.0 111.666 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 12' ' ' THR . 4.1 p -133.58 16.92 3.97 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.644 -1.285 . . . . 0.0 112.549 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' CYS . 40.8 tt0 51.74 -1.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.576 -1.327 . . . . 0.0 114.151 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 15.2 t -57.07 145.06 32.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 119.339 -2.101 . . . . 0.0 107.996 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.8 p -107.28 -9.76 15.98 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.143 -0.973 . . . . 0.0 109.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 p -98.29 119.37 36.85 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.426 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -145.3 149.12 34.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.154 -0.966 . . . . 0.0 109.492 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 p -78.26 -38.88 41.72 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.8 tp -148.06 131.32 16.49 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.221 -0.924 . . . . 0.0 108.649 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.426 ' CZ3' HG21 ' A' ' 15' ' ' THR . 94.4 m95 -80.82 130.26 34.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.021 -1.05 . . . . 0.0 108.788 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.789 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.0 mmt180 -115.6 121.41 42.54 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.056 -1.027 . . . . 0.0 109.656 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -69.05 141.24 54.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.985 -1.697 . . . . 0.0 106.671 178.442 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.44 157.47 44.57 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 120.787 -1.195 . . . . 0.0 109.658 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -50.71 -21.87 8.72 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.13 1.22 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.5 tpt -96.08 -12.17 25.24 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -0.927 . . . . 0.0 109.218 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.59 27.27 10.72 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -104.66 110.21 64.04 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.169 -1.195 . . . . 0.0 109.166 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -49.88 131.18 29.1 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 119.98 1.028 . . . . 0.0 112.757 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.4 m -133.95 161.77 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 O-C-N 121.669 -0.645 . . . . 0.0 110.058 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.18 156.21 23.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.825 -1.172 . . . . 0.0 109.443 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.789 ' ND2' HH21 ' A' ' 19' ' ' ARG . 38.7 t-20 -45.7 -46.64 15.01 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.516 -0.74 . . . . 0.0 112.085 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -50.21 71.67 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.683 -1.261 . . . . 0.0 111.048 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.7 m -55.77 -43.14 76.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.607 -1.308 . . . . 0.0 110.075 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.71 72.93 Favored Glycine 0 C--N 1.291 -1.963 0 C-N-CA 119.166 -1.493 . . . . 0.0 110.417 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.34 -51.94 26.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.142 -1.211 . . . . 0.0 110.669 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.94 -41.89 92.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.741 -1.225 . . . . 0.0 109.201 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.711 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.5 t80 -66.32 -48.15 71.21 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-O 121.69 0.757 . . . . 0.0 109.863 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 119.862 -1.774 . . . . 0.0 109.892 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.08 -41.07 71.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 111.165 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 70.3 m-70 -114.52 -10.16 12.59 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 120.835 -1.166 . . . . 0.0 112.007 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.711 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.5 tt0 41.27 55.84 3.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.54 -1.35 . . . . 0.0 112.027 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -149.54 153.47 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 6.9 p30 -83.73 123.64 30.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.91 -1.119 . . . . 0.0 109.587 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 42' ' ' ARG . 9.6 ttt-85 -97.67 132.38 25.18 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -48.42 150.93 5.13 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 CA-C-N 119.86 0.986 . . . . 0.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' MET . 8.4 mp -66.52 -12.59 58.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.661 -0.649 . . . . 0.0 111.807 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -46.49 -13.27 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.863 -1.148 . . . . 0.0 110.473 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' LEU . 26.8 ttt -97.74 -14.0 21.1 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.951 -1.093 . . . . 0.0 112.675 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.586 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 18.4 mmt180 -77.14 149.62 35.62 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.088 -1.633 . . . . 0.0 110.441 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ASP . 80.6 tttt -124.84 142.31 51.52 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' LYS . 73.0 m-20 -42.45 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.245 -0.909 . . . . 0.0 110.543 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.02 -173.21 24.4 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -92.63 143.4 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.252 -1.146 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.31 151.68 29.38 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.04 161.78 36.8 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.474 -1.391 . . . . 0.0 111.106 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -144.93 171.34 14.58 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -59.93 140.01 56.99 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 56' ' ' ARG . 22.6 mmt-85 -56.57 126.48 26.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.317 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 5.0 ttpm? -47.35 165.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.529 -0.732 . . . . 0.0 109.274 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.8 t -50.76 129.83 9.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 p -82.36 56.37 3.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.911 -1.118 . . . . 0.0 108.589 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.69 -0.632 . . . . 0.0 110.428 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.43 138.42 51.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.7 -1.25 . . . . 0.0 109.011 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.92 149.61 31.51 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -94.88 0.59 54.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.444 -1.033 . . . . 0.0 108.992 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -68.19 141.55 55.95 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.381 -0.824 . . . . 0.0 109.89 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.05 144.54 53.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.478 -0.764 . . . . 0.0 109.106 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.597 -179.879 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.424 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.328 3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-N19 111.045 4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.841 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.916 1 O4'-C1'-N19 112.289 5.611 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.515 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.07 1 O4'-C1'-N19 111.023 4.029 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.41 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.45 2.289 1 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 C3'-C2'-C1' 106.971 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.544 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.802 1 O4'-C1'-N19 111.268 4.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.443 4.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.555 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.436 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.155 0 O4'-C1'-N19 110.829 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.456 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.248 1 O4'-C1'-N19 112.252 5.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.503 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.727 1 O4'-C1'-N19 111.098 4.123 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.495 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.451 2.356 1 O4'-C1'-N19 112.035 5.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.464 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.419 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.482 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.877 5.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.443 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.976 0 O4'-C1'-N19 110.377 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.423 4.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C1'-N19 110.997 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 C3'-C2'-C1' 107.13 3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.534 ' O ' ' OG1' ' A' ' 5' ' ' THR . 98.8 mttt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -43.73 -22.08 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.34 -0.85 . . . . 0.0 110.972 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -81.38 103.69 11.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.304 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 3.39 68.09 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 14.1 m -63.85 121.44 14.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -1.182 . . . . 0.0 112.09 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.66 141.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.7 t -57.7 119.58 6.87 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 120.809 -1.182 . . . . 0.0 111.188 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.02 -39.96 87.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.775 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' H ' HG12 ' A' ' 27' ' ' VAL . 98.1 m-20 -79.28 -38.13 36.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.894 -1.129 . . . . 0.0 111.245 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' GLN . 4.2 p -134.66 23.87 3.68 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.522 -1.361 . . . . 0.0 112.595 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' CYS . 10.4 pt20 27.66 58.98 0.1 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 10.2 t -99.6 140.9 33.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -99.97 -2.84 33.55 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.956 1.707 . . . . 0.0 107.931 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -110.25 119.31 38.82 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.442 HG21 ' CH2' ' A' ' 18' ' ' TRP . 4.9 p -144.36 148.57 34.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.12 -0.988 . . . . 0.0 109.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.448 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 5.0 p -76.83 -41.45 44.16 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.974 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.8 tp -145.32 131.5 19.45 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.329 -0.857 . . . . 0.0 108.737 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CH2' HG21 ' A' ' 15' ' ' THR . 81.1 m95 -81.63 129.62 34.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 108.853 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.974 ' NH1' HD23 ' A' ' 17' ' ' LEU . 16.0 mmt180 -112.23 117.17 31.8 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.137 -0.977 . . . . 0.0 108.75 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' SER . 7.6 tpp180 -86.38 85.0 7.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 119.979 -1.701 . . . . 0.0 108.645 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -33.74 157.37 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.813 -0.554 . . . . 0.0 111.923 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.21 -8.85 2.81 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.623 1.549 . . . . 0.0 112.847 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.6 -24.65 19.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.336 -0.852 . . . . 0.0 109.476 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.35 17.07 18.81 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 4.8 m-20 -102.61 129.37 26.08 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.794 -1.415 . . . . 0.0 109.214 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -65.09 135.92 45.81 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 CA-C-N 120.16 1.093 . . . . 0.0 113.588 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.3 m -142.76 161.01 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.389 -0.819 . . . . 0.0 109.29 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 p -83.75 155.95 22.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.921 -1.112 . . . . 0.0 110.046 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.704 ' ND2' HH21 ' A' ' 19' ' ' ARG . 49.4 t-20 -49.54 -35.52 20.58 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.489 -0.757 . . . . 0.0 111.56 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' CB ' HH22 ' A' ' 42' ' ' ARG . . . -68.68 -49.0 62.49 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.596 -1.315 . . . . 0.0 110.216 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' CA ' HH21 ' A' ' 42' ' ' ARG . 56.9 m -61.63 -43.97 97.87 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.955 -1.091 . . . . 0.0 109.881 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.33 -51.3 43.09 Favored Glycine 0 C--N 1.291 -1.925 0 C-N-CA 119.154 -1.498 . . . . 0.0 110.39 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 63.6 mt -69.41 -49.82 51.59 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.161 -1.199 . . . . 0.0 110.736 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.517 -1.364 . . . . 0.0 109.652 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.0 t80 -67.77 -49.66 61.29 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.821 0.819 . . . . 0.0 109.884 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.0 ttpm? -59.98 -40.71 90.04 Favored 'General case' 0 C--N 1.289 -2.03 0 O-C-N 120.209 -1.557 . . . . 0.0 109.873 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.52 -40.02 73.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.403 -0.811 . . . . 0.0 111.515 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 77.1 m-70 -120.08 -4.68 10.04 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.92 -1.113 . . . . 0.0 111.991 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.4 tt0 39.58 55.63 2.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.882 -1.136 . . . . 0.0 111.612 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.55 150.84 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -85.53 129.32 34.85 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.153 -0.967 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.553 HH21 ' CA ' ' A' ' 31' ' ' CYS . 14.1 ptt180 -101.87 151.57 37.99 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.206 -0.934 . . . . 0.0 110.198 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.8 Cg_endo -63.63 149.19 91.52 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.193 1.262 . . . . 0.0 112.334 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.54 9.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.401 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 43' ' ' PRO . 12.2 p -60.97 -15.56 32.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.833 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.24 -8.66 32.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.258 -0.901 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -77.39 125.02 28.66 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' GLY . 23.2 ttpp -122.27 137.02 54.99 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.66 1.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.279 -0.888 . . . . 0.0 111.849 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.17 173.05 32.09 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.563 -1.335 . . . . 0.0 110.377 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mt -90.41 139.88 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.026 . . . . 0.0 108.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -80.28 148.48 30.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.162 -0.961 . . . . 0.0 109.108 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 161.97 35.81 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.742 -1.224 . . . . 0.0 110.466 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -151.08 159.15 44.68 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.48 136.0 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.995 -1.065 . . . . 0.0 109.016 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 122.54 7.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -69.84 -177.05 1.19 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 110.282 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.6 t -43.32 148.37 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.515 -0.741 . . . . 0.0 109.663 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.2 p -63.43 137.8 58.28 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.256 -0.978 . . . . 0.0 108.994 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.1 m -130.9 138.94 50.02 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.869 0.842 . . . . 0.0 109.842 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' LYS . 17.2 ptmt -174.12 -167.95 0.37 Allowed 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.11 47.39 0.24 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 tmtm? -59.94 -46.11 90.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -1.151 . . . . 0.0 109.265 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -69.25 139.99 54.47 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.161 -0.962 . . . . 0.0 108.946 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.4 ttt-85 -138.37 133.27 32.72 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.017 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 1 O4'-C1'-N19 111.166 4.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.909 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.392 3.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.535 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.445 1.944 1 O4'-C1'-N19 112.091 5.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.505 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.563 1 O4'-C1'-N19 111.792 4.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 112.351 5.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C3'-C2'-C1' 107.095 3.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.275 1 O4'-C1'-N19 111.337 4.421 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.487 ' C8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.503 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.382 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 111.664 4.83 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.56 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.842 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.414 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.122 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.49 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.987 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.49 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 111.551 4.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.835 0 C3'-C2'-C1' 107.372 3.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 1 O4'-C1'-N19 111.559 4.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.542 3.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.937 3.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.149 4.187 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.589 0.709 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.63 0.15 38.65 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.495 -0.753 . . . . 0.0 109.497 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.41 114.46 13.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 0.0 110.262 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.95 -12.16 50.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -68.08 111.63 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.802 -1.411 . . . . 0.0 109.748 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.56 140.37 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -62.7 116.83 5.55 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.424 -1.423 . . . . 0.0 109.986 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m -60.05 -39.95 87.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.67 -0.644 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.71 -39.36 57.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.949 -1.094 . . . . 0.0 111.965 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -129.01 13.97 6.27 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 120.539 -1.351 . . . . 0.0 112.473 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.8 mt-30 59.18 2.34 0.28 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -62.93 147.09 51.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.788 -1.82 . . . . 0.0 108.302 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -109.75 -10.7 14.78 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 107.337 -1.356 . . . . 0.0 107.337 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.3 p -102.73 125.39 49.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -148.31 152.28 36.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.235 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -74.23 -40.37 62.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.909 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.1 tp -146.46 133.1 19.87 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -79.36 124.72 28.68 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.708 -1.245 . . . . 0.0 110.17 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.739 HH12 HD23 ' A' ' 17' ' ' LEU . 2.8 mmt-85 -115.51 128.87 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.924 -0.485 . . . . 0.0 109.745 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.47 145.43 29.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.164 -1.585 . . . . 0.0 107.11 178.136 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.48 158.73 42.71 Favored Pre-proline 0 N--CA 1.498 1.973 0 O-C-N 120.871 -1.143 . . . . 0.0 108.699 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -49.83 -21.98 6.62 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.495 1.463 . . . . 0.0 113.333 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -92.83 -9.57 39.9 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.987 -1.071 . . . . 0.0 109.825 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.74 21.81 27.67 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.16 113.47 63.98 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -49.02 126.54 15.35 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 CA-C-N 119.923 1.008 . . . . 0.0 112.792 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.04 158.8 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.523 -0.736 . . . . 0.0 109.9 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -82.26 156.84 24.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 0.0 109.02 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -50.0 -34.54 21.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.141 -0.974 . . . . 0.0 110.867 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.3 13.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.716 -1.24 . . . . 0.0 110.478 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.3 -44.0 88.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.827 -1.171 . . . . 0.0 110.083 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.88 -47.89 46.46 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.623 -1.275 . . . . 0.0 110.18 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.3 -51.91 32.62 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.262 -1.14 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.12 -40.51 89.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.402 -1.436 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.2 t80 -62.96 -51.48 66.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.261 -0.899 . . . . 0.0 109.921 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.01 -40.95 91.02 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.624 -1.297 . . . . 0.0 110.605 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.97 -47.66 84.92 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.913 -1.117 . . . . 0.0 108.586 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.566 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 55.3 m80 -106.45 -72.59 0.71 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.566 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 16.5 tt0 114.22 59.01 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.986 0 CA-C-O 122.395 1.093 . . . . 0.0 108.584 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -147.96 160.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -85.26 129.16 34.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.567 -1.333 . . . . 0.0 109.532 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -92.32 130.25 38.31 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.802 . . . . 0.0 109.443 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -46.72 150.65 2.39 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 CA-C-N 120.058 1.057 . . . . 0.0 112.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.1 mp -64.59 -29.9 70.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.579 -0.701 . . . . 0.0 110.711 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 57.3 p -47.16 -15.27 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.736 -1.228 . . . . 0.0 109.471 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' LEU . 11.1 tpt -80.58 -43.97 19.74 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.382 -0.824 . . . . 0.0 110.621 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.03 172.13 14.18 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.196 -0.94 . . . . 0.0 110.91 -178.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -137.89 159.62 41.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.31 -83.27 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.463 -0.773 . . . . 0.0 110.218 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.62 -171.43 26.92 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 mt -88.87 141.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -1.202 . . . . 0.0 109.824 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.28 156.47 28.06 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.93 160.62 39.99 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.813 -1.18 . . . . 0.0 111.691 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.409 HH21 H5'' ' B' ' 113' ' ' ' DC' . 1.5 mmt-85 -149.99 170.16 19.51 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.981 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -57.45 142.28 44.56 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -64.57 126.14 26.92 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.642 0.734 . . . . 0.0 110.781 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.05 139.91 50.81 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.538 0.685 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -49.2 171.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.558 -0.714 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 t -93.23 119.77 32.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.417 -0.802 . . . . 0.0 109.114 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -129.34 158.02 40.28 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.555 -0.716 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -128.12 143.11 51.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.615 -0.678 . . . . 0.0 109.506 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.03 72.99 0.23 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.0 150.4 33.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.317 -1.108 . . . . 0.0 109.206 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.06 -39.97 87.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.078 -1.014 . . . . 0.0 108.277 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -121.17 136.13 55.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.623 -0.673 . . . . 0.0 109.433 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 66' ' ' ARG . 35.0 ttt-85 . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.115 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.469 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.469 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.203 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.927 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.45 " H3'" HH22 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.343 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.857 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.58 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 1.993 1 O4'-C1'-N19 112.647 6.059 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.56 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.509 4.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.403 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.596 3.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.403 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 112.453 5.817 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.47 0 C3'-C2'-C1' 107.01 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.566 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.537 1 O4'-C1'-N19 111.58 4.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.411 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.219 3.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.566 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.783 3.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.444 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.562 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.126 1 O4'-C1'-N19 111.733 4.916 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.562 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 112.018 5.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.439 ' H71' " H2'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.206 4.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.418 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.451 2.392 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.409 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.89 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.854 1 O4'-C1'-N19 111.756 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.855 0 C3'-C2'-C1' 107.298 3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.458 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 C3'-C2'-C1' 107.228 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.622 4.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.8 mttp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.45 HH22 " H3'" ' B' ' 105' ' ' ' DC' . 9.3 mpt_? -65.57 -40.07 92.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.023 -1.048 . . . . 0.0 108.541 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.89 113.95 0.75 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.598 -0.689 . . . . 0.0 111.047 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.22 83.77 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.193 -0.942 . . . . 0.0 111.734 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 m -68.71 118.42 11.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.781 -1.423 . . . . 0.0 110.818 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -121.59 142.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.3 t -59.74 119.37 7.51 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.833 -1.167 . . . . 0.0 110.581 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -60.96 -40.15 92.25 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -77.52 -38.27 49.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.85 -1.156 . . . . 0.0 111.691 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 p -131.0 14.57 5.22 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 120.135 1.334 . . . . 0.0 113.079 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.3 mt-30 57.03 0.01 0.07 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -59.55 157.49 11.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 119.695 -1.878 . . . . 0.0 108.292 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 p -132.33 9.52 4.39 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 120.747 -1.221 . . . . 0.0 108.638 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 80.5 p -114.22 50.93 0.9 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.709 0.766 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.471 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -78.86 149.73 32.4 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 121.272 -0.892 . . . . 0.0 111.157 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.2 p -74.35 -39.02 63.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.857 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 8.7 tp -143.75 132.31 22.33 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' ' 15' ' ' THR . 51.4 m95 -79.09 127.69 32.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.057 -1.027 . . . . 0.0 109.86 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.768 HH12 HD23 ' A' ' 17' ' ' LEU . 5.4 mmt-85 -117.96 131.52 56.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.85 -0.531 . . . . 0.0 110.019 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.5 mmt-85 -84.14 145.23 28.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.327 -1.483 . . . . 0.0 107.605 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -91.03 152.96 44.77 Favored Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.965 -1.084 . . . . 0.0 108.655 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -44.87 -19.87 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.142 1.228 . . . . 0.0 114.082 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.27 -11.42 27.95 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.771 -1.206 . . . . 0.0 110.618 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.71 26.28 10.85 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.6 m-20 -105.92 115.04 62.04 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.165 -1.197 . . . . 0.0 109.2 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -49.0 128.51 19.47 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.084 1.066 . . . . 0.0 113.299 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.62 158.47 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.39 0 O-C-N 121.574 -0.704 . . . . 0.0 109.546 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.77 154.45 24.74 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.065 -1.022 . . . . 0.0 109.095 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -49.48 -41.19 39.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.377 -0.827 . . . . 0.0 111.483 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.12 66.3 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.482 -1.386 . . . . 0.0 110.314 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.9 m -57.42 -44.19 84.42 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.616 -1.303 . . . . 0.0 110.005 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.98 -49.92 64.31 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 118.829 -1.653 . . . . 0.0 109.99 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.82 -50.88 54.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.282 -1.128 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 34.6 t80 -59.98 -45.94 91.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.435 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.9 t80 -61.88 -46.81 87.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.647 . . . . 0.0 110.566 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -60.05 -41.56 92.59 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.15 -1.594 . . . . 0.0 110.585 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.03 -39.96 75.46 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.903 -1.123 . . . . 0.0 111.557 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.421 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 49.6 m-70 -120.08 9.03 11.06 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 120.901 -1.124 . . . . 0.0 112.171 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 35' ' ' TYR . 21.4 pt20 33.07 41.61 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.688 -1.257 . . . . 0.0 113.682 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -138.53 156.45 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.56 127.86 34.28 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.043 -1.036 . . . . 0.0 110.627 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.56 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.2 OUTLIER -92.68 134.11 28.3 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.128 -0.983 . . . . 0.0 110.397 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -43.79 151.67 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.226 1.284 . . . . 0.0 113.471 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' MET . 4.6 mp -70.04 -29.02 65.95 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.684 . . . . 0.0 110.532 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.9 p -46.75 -12.72 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.298 -0.876 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 44' ' ' LEU . 4.1 tpt -70.0 -47.19 63.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.215 -0.928 . . . . 0.0 109.911 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -83.09 171.43 13.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.306 -0.871 . . . . 0.0 111.324 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 68.4 mttm -139.3 168.01 20.79 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 1.3 p-10 -38.42 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.419 -0.801 . . . . 0.0 111.32 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -69.37 -174.01 10.68 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -89.25 140.42 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.273 -1.133 . . . . 0.0 109.087 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -74.8 147.6 41.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.51 158.06 44.57 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.886 -1.134 . . . . 0.0 110.572 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -147.56 165.54 30.04 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -49.94 138.46 15.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.183 -0.948 . . . . 0.0 108.853 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.83 131.64 47.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 111.618 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -47.84 160.54 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.494 0.664 . . . . 0.0 110.297 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.85 145.74 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.472 -0.768 . . . . 0.0 109.396 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.0 p -89.97 43.39 1.14 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.149 -0.969 . . . . 0.0 108.519 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.2 t -59.79 -38.33 81.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.631 -0.668 . . . . 0.0 109.517 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -122.1 144.38 48.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.605 -0.685 . . . . 0.0 109.347 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.27 -30.55 0.04 OUTLIER Glycine 0 N--CA 1.484 1.854 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -119.86 133.64 55.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.493 -1.004 . . . . 0.0 109.752 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -93.95 -79.71 0.41 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.399 -0.813 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -148.42 125.93 11.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.298 -0.876 . . . . 0.0 109.21 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.592 HH11 ' HG2' ' A' ' 66' ' ' ARG . 12.6 mtt-85 . . . . . 0 N--CA 1.496 1.844 0 O-C-N 120.943 -1.098 . . . . 0.0 109.706 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.697 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.135 4.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.259 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.46 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.55 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.442 1.723 1 O4'-C1'-N19 112.109 5.387 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.481 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.464 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.89 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.467 " O3'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 112.18 5.475 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.416 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.798 0 C3'-C2'-C1' 107.098 3.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.59 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.665 4.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.727 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 0 C3'-C2'-C1' 106.646 2.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.59 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.211 4.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 1 O4'-C1'-N19 111.711 4.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.473 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.473 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.066 1 O4'-C1'-N19 112.52 5.9 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 1 O4'-C1'-N19 111.956 5.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.101 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.412 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 0 O5'-C5'-C4' 114.253 2.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.458 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.476 1 O4'-C1'-N19 112.711 6.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.969 0 C3'-C2'-C1' 107.33 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.395 4.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.46 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.611 3.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 0 O4'-C1'-N19 110.717 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.166 1 O4'-C1'-N19 111.817 5.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.847 3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.408 ' NZ ' ' HE ' ' A' ' 2' ' ' ARG . 13.5 pttp . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.448 ' HD3' ' HE1' ' A' ' 18' ' ' TRP . 48.0 mtt180 -102.62 -7.19 21.99 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.701 -0.624 . . . . 0.0 109.54 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.27 118.58 13.27 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.962 -1.086 . . . . 0.0 109.516 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -16.37 12.57 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -69.99 116.9 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.796 -1.414 . . . . 0.0 110.074 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.37 141.22 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.8 t -61.45 117.83 6.2 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.513 -1.367 . . . . 0.0 110.491 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -59.94 -39.89 87.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.67 -0.644 . . . . 0.0 109.733 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.436 ' H ' HG12 ' A' ' 27' ' ' VAL . 9.6 m120 -74.34 -39.2 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.013 -1.055 . . . . 0.0 111.678 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.31 14.68 3.81 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.451 -1.405 . . . . 0.0 112.987 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.8 mt-30 56.96 0.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.428 -1.42 . . . . 0.0 114.019 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -61.0 148.89 38.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 119.526 -1.984 . . . . 0.0 107.334 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 p -111.34 -9.84 14.25 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -100.22 120.53 40.04 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.8 p -145.48 149.17 34.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.029 -1.044 . . . . 0.0 109.605 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.3 p -72.85 -40.48 65.67 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.6 tp -147.37 132.55 18.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.383 -0.823 . . . . 0.0 109.024 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' HE1' ' HD3' ' A' ' 2' ' ' ARG . 71.2 m95 -80.02 129.23 34.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 0.0 108.545 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.548 ' NH1' HD23 ' A' ' 17' ' ' LEU . 25.8 mmt180 -116.09 119.98 37.59 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.089 -1.007 . . . . 0.0 109.859 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -68.31 141.07 55.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.238 -1.539 . . . . 0.0 107.088 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 155.27 43.12 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.71 -1.244 . . . . 0.0 110.143 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -47.62 -22.36 2.9 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.444 1.43 . . . . 0.0 113.54 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.5 mtp -95.17 -13.06 25.33 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.812 -1.18 . . . . 0.0 109.969 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.87 20.68 18.08 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -102.11 110.99 63.81 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.975 -1.309 . . . . 0.0 110.34 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -48.15 136.55 24.21 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 CA-C-N 120.019 1.043 . . . . 0.0 113.474 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 19' ' ' ARG . 13.8 m -140.12 161.72 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.479 -0.763 . . . . 0.0 109.867 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.27 155.82 22.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.789 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.2 OUTLIER -43.71 -43.81 6.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.568 -0.707 . . . . 0.0 111.265 -178.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.53 57.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.752 -1.218 . . . . 0.0 111.601 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -58.55 -43.68 89.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.38 -1.45 . . . . 0.0 110.183 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.64 -46.15 47.25 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.107 -1.52 . . . . 0.0 110.14 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -73.05 -52.87 12.72 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.599 -0.941 . . . . 0.0 110.879 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.07 -41.28 92.09 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 120.733 -1.229 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.75 -50.57 68.57 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.321 -0.862 . . . . 0.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.12 -41.88 89.24 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.427 -1.421 . . . . 0.0 110.873 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.6 -48.92 79.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.415 -1.428 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 64.0 m-70 -101.35 -71.71 0.7 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 48.7 tt0 109.67 57.87 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.705 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.28 163.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -85.98 138.39 32.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.952 -1.092 . . . . 0.0 110.269 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -110.25 135.12 20.61 Favored Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 121.227 -0.921 . . . . 0.0 110.161 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -45.37 151.27 1.02 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 CA-C-N 119.798 0.964 . . . . 0.0 112.489 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -71.87 -9.8 58.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 111.595 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LEU . 6.5 t -45.59 -16.75 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.817 -1.177 . . . . 0.0 109.87 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -85.12 -32.11 22.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.361 -0.837 . . . . 0.0 111.824 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -72.92 151.55 41.84 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.895 -1.128 . . . . 0.0 111.324 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.8 mttp -134.06 159.32 41.18 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' LYS . 4.0 m-20 -40.02 -88.11 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.143 -0.973 . . . . 0.0 110.907 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -167.02 18.75 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.36 144.06 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -1.064 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -77.64 152.4 33.86 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.62 162.11 36.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.553 -1.342 . . . . 0.0 111.398 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' NH2' " O3'" ' B' ' 112' ' ' ' DA' . 9.9 ptm180 -151.23 169.78 21.08 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.688 0.756 . . . . 0.0 110.622 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -65.94 140.22 58.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.646 -0.659 . . . . 0.0 110.367 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -66.92 126.82 30.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.524 -0.735 . . . . 0.0 110.365 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -65.15 -173.77 0.14 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.289 -0.882 . . . . 0.0 110.12 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -49.98 140.05 4.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.67 106.6 7.32 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.748 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.9 t -160.92 147.31 14.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.072 -1.017 . . . . 0.0 109.654 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -89.9 -79.05 0.35 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.84 -49.04 0.06 OUTLIER Glycine 0 N--CA 1.488 2.126 0 C-N-CA 119.559 -1.305 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.77 101.8 0.52 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.293 . . . . 0.0 109.661 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.65 -39.94 80.48 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -73.97 135.57 43.18 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.536 HH11 ' HG2' ' A' ' 66' ' ' ARG . 6.8 mmt-85 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 120.923 -1.111 . . . . 0.0 109.214 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.631 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.281 1 O4'-C1'-N19 111.264 4.33 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 1 O4'-C1'-N19 111.138 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.871 3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.657 0 O4'-C1'-N19 110.683 3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.484 ' C8 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.267 3.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.442 1.694 1 O4'-C1'-N19 111.782 4.977 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.575 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.2 3.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.476 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.454 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.147 1 O4'-C1'-N19 112.054 5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 O4'-C1'-N19 110.49 3.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.549 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.562 1 O4'-C1'-N19 111.124 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.287 3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.549 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.458 ' N3 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.55 4.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.926 5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.545 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.901 5.126 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.325 4.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.077 1 O4'-C1'-N19 111.289 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.491 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.33 1 O4'-C1'-N19 111.089 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.491 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 112.555 5.944 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.447 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.133 0 C3'-C2'-C1' 107.336 3.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-N19 111.276 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.403 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.501 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.501 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.613 1 O4'-C1'-N19 111.534 4.667 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.208 4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' A' ' 5' ' ' THR . 40.7 pttt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.512 0.672 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -61.35 -40.51 94.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.716 0.769 . . . . 0.0 109.651 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.25 8.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.855 -0.528 . . . . 0.0 111.135 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -11.19 56.51 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 9.0 m -62.1 120.21 10.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.262 . . . . 0.0 110.386 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.88 141.8 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.7 t -63.86 115.12 4.53 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.634 -1.292 . . . . 0.0 110.294 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -60.08 -40.02 88.13 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.218 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -72.02 -39.84 68.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.0 112.259 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.2 p -130.37 12.99 5.54 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.532 -1.355 . . . . 0.0 112.184 -178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 7' ' ' CYS . 68.8 mt-30 56.43 1.96 0.08 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.844 -1.16 . . . . 0.0 113.721 176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' SG ' ' A' ' 10' ' ' CYS . 10.7 t -64.97 158.34 25.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 119.973 -1.705 . . . . 0.0 108.356 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 9.31 4.26 Favored 'General case' 0 N--CA 1.512 2.635 0 O-C-N 120.995 -1.066 . . . . 0.0 109.746 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 49' ' ' ASP . 4.9 p -109.55 48.33 0.89 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.045 0.926 . . . . 0.0 108.656 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.534 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.66 148.12 37.06 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.32 -0.863 . . . . 0.0 111.521 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -77.17 -36.82 54.78 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.1 tp -148.56 132.43 17.06 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.427 -0.796 . . . . 0.0 109.29 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CZ3' HG21 ' A' ' 15' ' ' THR . 86.5 m95 -81.6 129.52 34.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.798 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.606 ' CZ ' HD23 ' A' ' 17' ' ' LEU . 20.8 mmt180 -116.35 123.53 47.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.318 -0.864 . . . . 0.0 109.059 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -74.49 143.81 44.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.688 -1.882 . . . . 0.0 107.54 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -91.85 156.73 42.36 Favored Pre-proline 0 N--CA 1.503 2.187 0 O-C-N 120.911 -1.118 . . . . 0.0 109.699 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -49.17 -20.55 3.46 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.183 1.255 . . . . 0.0 112.724 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.75 -12.65 23.43 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.053 -1.029 . . . . 0.0 109.682 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.91 8.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -104.72 110.91 65.05 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.061 -1.258 . . . . 0.0 109.567 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -49.37 134.92 32.21 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 119.796 0.963 . . . . 0.0 112.786 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.1 m -140.18 159.95 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.371 0 O-C-N 121.299 -0.876 . . . . 0.0 110.517 178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.36 156.38 23.04 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.204 -0.935 . . . . 0.0 108.624 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.487 ' OD1' ' NH2' ' A' ' 19' ' ' ARG . 7.2 t30 -49.57 -42.17 43.64 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.084 -1.01 . . . . 0.0 111.582 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.37 -55.82 28.96 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.432 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 57.6 m -55.5 -48.38 74.72 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.712 -1.243 . . . . 0.0 110.403 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.32 -50.0 48.75 Favored Glycine 0 C--N 1.286 -2.241 0 C-N-CA 119.237 -1.459 . . . . 0.0 110.508 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.26 -54.55 14.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.905 -1.35 . . . . 0.0 110.964 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.58 ' CZ ' ' NE ' ' A' ' 42' ' ' ARG . 45.4 t80 -59.92 -46.14 90.33 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.526 -1.359 . . . . 0.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 39' ' ' GLN . 20.9 t80 -59.02 -42.13 89.43 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.197 -0.939 . . . . 0.0 108.999 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -58.54 -46.16 87.41 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.902 -1.123 . . . . 0.0 110.147 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 -57.78 11.3 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.504 -1.372 . . . . 0.0 109.909 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 2.3 m80 -96.01 -72.59 0.63 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 1.6 pt20 111.15 56.25 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 0 CA-C-O 122.399 1.095 . . . . 0.0 109.954 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.82 156.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -86.85 141.39 28.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.126 -0.984 . . . . 0.0 109.789 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.58 ' NE ' ' CZ ' ' A' ' 34' ' ' TYR . 20.5 mmt180 -99.04 150.21 36.48 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.662 -1.274 . . . . 0.0 109.391 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -64.77 44.42 0.14 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 119.65 0.911 . . . . 0.0 112.296 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' ARG . 9.3 mp 45.74 25.73 0.3 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 110.89 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.451 ' H ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.38 -12.45 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.739 -1.226 . . . . 0.0 109.95 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mmm -98.53 -14.73 19.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.185 -0.947 . . . . 0.0 111.443 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 8.4 mmt180 -81.69 139.61 34.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.355 -1.465 . . . . 0.0 109.908 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -125.6 -151.99 0.5 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 14' ' ' THR . 42.9 m-20 -89.16 -84.25 0.22 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.417 -1.427 . . . . 0.0 108.112 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.34 -166.06 21.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.2 mt -91.9 144.16 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -1.211 . . . . 0.0 109.987 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.13 149.24 44.92 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -140.11 157.57 45.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.916 -1.115 . . . . 0.0 110.662 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 51.1 mtt-85 -147.74 164.54 33.26 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.626 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.01 136.59 56.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 108.942 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.73 130.93 48.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.529 -0.732 . . . . 0.0 109.911 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.53 -170.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.304 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.58 141.43 17.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.444 -0.785 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 m -90.2 111.63 22.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.158 -0.963 . . . . 0.0 108.715 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -107.35 116.74 32.48 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.693 0.758 . . . . 0.0 109.863 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -150.37 119.83 6.92 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.15 41.77 0.11 Allowed Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.108 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.95 131.07 36.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -1.081 . . . . 0.0 109.463 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -112.54 29.95 7.51 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.5 -0.75 . . . . 0.0 109.873 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -52.32 134.57 33.86 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.637 -179.581 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C1'-N19 110.182 2.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.906 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.272 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.669 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.817 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.964 0 P-O3'-C3' 123.322 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.609 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.444 1.832 1 O4'-C1'-N19 112.351 5.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.406 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.488 1 O4'-C1'-N19 111.327 4.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.225 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 C4'-C3'-C2' 106.124 2.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.567 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.117 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.402 ' H72' " H2'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.94 1 O4'-C1'-N19 111.516 4.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.431 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.22 3.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.567 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 1 O4'-C1'-N19 111.238 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.457 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.439 4.549 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 112.223 5.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.604 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.259 1 O4'-C1'-N19 111.463 4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.507 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.813 0 O4'-C1'-N19 110.524 3.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.507 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 112.002 5.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.517 " C5'" ' HE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.362 0 C3'-C2'-C1' 107.335 3.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.445 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.295 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.058 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.75 -4.04 34.36 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.203 -0.935 . . . . 0.0 109.215 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.78 114.81 12.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.148 -0.97 . . . . 0.0 110.023 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.04 -12.97 51.93 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -68.22 114.87 7.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.046 -1.267 . . . . 0.0 110.794 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.11 140.66 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLN . 49.3 t -63.44 119.07 9.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.21 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -62.08 -40.0 94.34 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.451 -0.78 . . . . 0.0 110.458 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' H ' HG12 ' A' ' 27' ' ' VAL . 9.4 m120 -74.43 -40.07 62.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.879 -1.138 . . . . 0.0 111.99 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.1 p -128.57 12.7 6.42 Favored 'General case' 0 N--CA 1.514 2.772 0 O-C-N 120.46 -1.4 . . . . 0.0 112.452 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.6 mt-30 56.36 1.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -63.07 150.57 42.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.72 -1.863 . . . . 0.0 107.526 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -107.87 -10.01 15.62 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -99.32 122.41 42.43 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.452 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.9 p -146.23 149.42 33.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.225 -0.922 . . . . 0.0 109.113 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.401 HG21 " H2'" ' C' ' 124' ' ' ' DA' . 26.3 p -72.81 -39.85 66.3 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.4 tp -145.13 132.2 20.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CZ3' HG21 ' A' ' 15' ' ' THR . 70.6 m95 -78.83 129.11 34.23 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.626 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.629 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.1 mmt-85 -117.98 129.87 55.85 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.821 -0.549 . . . . 0.0 109.905 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 147.66 30.03 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 158.77 40.55 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 120.871 -1.143 . . . . 0.0 109.006 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -53.13 -18.33 9.83 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.036 1.157 . . . . 0.0 111.577 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 94.1 mmm -92.7 -13.66 29.08 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.519 -0.738 . . . . 0.0 109.948 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.28 21.82 14.3 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -102.62 131.51 22.29 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.094 -1.239 . . . . 0.0 110.039 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -64.64 129.17 22.86 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 CA-C-N 120.163 1.094 . . . . 0.0 112.041 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 9' ' ' ASN . 3.9 m -133.1 159.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.436 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 p -82.23 152.64 26.3 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.047 -1.033 . . . . 0.0 108.339 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -49.84 -30.3 9.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.246 -0.909 . . . . 0.0 111.393 -176.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -71.95 -51.63 21.11 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.732 -1.23 . . . . 0.0 110.049 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.6 m -59.39 -41.8 90.24 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.862 -1.149 . . . . 0.0 109.674 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.49 72.44 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 118.72 -1.705 . . . . 0.0 109.702 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 37' ' ' LEU . 69.7 mt -73.04 -52.99 12.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -1.132 . . . . 0.0 110.584 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.636 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 48.6 t80 -60.02 -43.82 95.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.5 t80 -63.6 -48.52 77.01 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.906 0.86 . . . . 0.0 109.48 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -60.05 -40.81 90.7 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 120.25 -1.531 . . . . 0.0 109.88 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.6 mp -72.78 -45.01 60.79 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.13 -0.981 . . . . 0.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.604 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 69.0 m-70 -108.63 -9.56 15.28 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.928 -1.108 . . . . 0.0 111.78 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' TYR . 25.7 tt0 40.91 51.66 3.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.655 -1.278 . . . . 0.0 111.922 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -150.05 156.28 7.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 17.4 p-10 -85.6 124.34 32.04 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.613 -1.304 . . . . 0.0 110.649 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.642 HH11 ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.0 126.29 57.78 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.285 -0.885 . . . . 0.0 109.346 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 45' ' ' THR . 16.1 Cg_exo -48.42 152.05 4.22 Favored 'Trans proline' 0 N--CA 1.487 1.12 0 CA-C-N 120.086 1.067 . . . . 0.0 111.252 178.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.8 mp -65.65 29.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.376 -0.828 . . . . 0.0 111.084 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.87 -17.93 64.65 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.503 -1.373 . . . . 0.0 110.34 -179.357 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.578 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 89.2 mtp -105.83 -5.38 19.84 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.212 -0.93 . . . . 0.0 111.824 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.654 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.3 mmp_? -82.29 140.49 33.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.6 -1.313 . . . . 0.0 111.356 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -134.72 159.01 42.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -45.35 -83.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.12 -0.988 . . . . 0.0 110.122 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -173.17 16.04 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.19 150.83 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.172 -1.193 . . . . 0.0 109.521 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -79.25 149.73 31.77 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.43 162.61 36.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.65 -1.281 . . . . 0.0 111.25 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -151.73 162.04 41.67 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.534 0.683 . . . . 0.0 110.35 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 49.9 p-10 -50.63 144.97 7.29 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.554 ' CB ' HH11 ' A' ' 56' ' ' ARG . 0.0 OUTLIER -61.54 122.6 15.65 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.237 -0.914 . . . . 0.0 109.965 -178.494 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -61.54 -169.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 109.947 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.03 150.82 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.391 -0.818 . . . . 0.0 109.628 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.9 p -80.0 143.13 34.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.105 -0.997 . . . . 0.0 109.408 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -143.97 127.7 17.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.374 -0.829 . . . . 0.0 108.978 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -104.82 130.34 52.96 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.477 -0.764 . . . . 0.0 110.286 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.5 5.07 60.29 Favored Glycine 0 N--CA 1.499 2.877 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -61.56 -40.0 93.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.304 . . . . 0.0 110.003 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -148.18 148.78 30.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.989 -1.069 . . . . 0.0 109.501 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 65' ' ' ARG . 32.6 mtt-85 -97.58 14.28 27.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.353 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.366 4.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.202 4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.803 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.604 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.403 1 O4'-C1'-N19 112.379 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.571 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.603 3.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 0 O4'-C1'-N19 110.445 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.521 1 O4'-C1'-N19 111.146 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.188 0 O4'-C1'-N19 110.741 3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.971 1 O4'-C1'-N19 112.106 5.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 O4'-C1'-N19 110.335 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.328 4.41 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 1 O4'-C1'-N19 111.134 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.794 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.418 0 O4'-C1'-N19 110.203 3.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.586 4.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.565 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.419 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.565 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 112.58 5.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.595 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.236 1 O4'-C1'-N19 111.498 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.441 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.753 1 O4'-C1'-N19 111.518 4.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.615 4.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.433 " H5'" ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.577 0 C3'-C2'-C1' 107.494 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . 0.476 ' OP1' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.45 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.232 0 O4'-C1'-N19 110.484 3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.893 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -57.18 -25.8 59.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.102 -0.999 . . . . 0.0 110.123 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.59 118.32 13.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.597 -1.314 . . . . 0.0 109.899 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . 133.4 -22.59 3.93 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.59 -2.204 . . . . 0.0 107.59 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' CH2' ' A' ' 18' ' ' TRP . 13.2 m -47.96 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 15.5 m -63.28 140.26 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 120.105 -1.622 . . . . 0.0 110.976 -177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -60.17 122.89 15.56 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.679 0.752 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -60.1 -40.06 88.32 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.648 -0.657 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.417 HD22 ' HB3' ' A' ' 31' ' ' CYS . 98.8 m-20 -80.28 -38.74 30.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.763 -1.211 . . . . 0.0 112.323 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -130.36 16.89 5.47 Favored 'General case' 0 N--CA 1.511 2.589 0 CA-C-N 120.446 1.475 . . . . 0.0 112.636 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 57.22 -2.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.885 -1.134 . . . . 0.0 113.918 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t -60.06 140.07 57.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.704 -1.873 . . . . 0.0 108.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -103.44 -9.88 19.02 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.3 p -99.33 119.98 38.82 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 HG21 ' CH2' ' A' ' 18' ' ' TRP . 3.2 p -147.1 151.23 36.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.262 -0.899 . . . . 0.0 109.518 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 p -75.45 -37.57 60.22 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.898 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.5 tp -147.83 132.58 17.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 5' ' ' THR . 42.1 m95 -81.58 131.68 35.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.035 -1.04 . . . . 0.0 109.976 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.898 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -117.01 123.23 46.39 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -88.8 86.75 7.03 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.006 -1.684 . . . . 0.0 107.887 178.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.76 157.85 0.03 OUTLIER Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 121.615 -0.678 . . . . 0.0 112.213 -177.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -49.14 -9.81 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.747 1.631 . . . . 0.0 113.614 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mtm -99.35 -13.64 19.52 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.076 -1.015 . . . . 0.0 109.919 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 27.22 15.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -105.41 143.64 27.2 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.097 -1.237 . . . . 0.0 108.556 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -74.33 127.22 10.98 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 120.758 0.972 . . . . 0.0 113.305 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.35 156.66 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 O-C-N 121.282 -0.886 . . . . 0.0 108.689 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -81.47 151.86 27.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.617 -1.302 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.594 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.2 OUTLIER -46.81 -32.93 4.03 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.525 -0.734 . . . . 0.0 111.952 -177.147 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.38 -47.98 37.74 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 120.516 -1.365 . . . . 0.0 110.798 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 9' ' ' ASN . 28.6 m -58.69 -41.94 87.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.84 -1.162 . . . . 0.0 110.605 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.59 -46.18 94.4 Favored Glycine 0 N--CA 1.486 1.995 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.332 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -49.45 58.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.082 -1.246 . . . . 0.0 109.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 31.4 t80 -60.03 -45.48 92.66 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.888 -1.132 . . . . 0.0 109.878 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.2 -46.86 85.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.4 -0.812 . . . . 0.0 110.642 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.08 -42.22 94.16 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.16 -1.588 . . . . 0.0 110.766 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.57 -40.06 73.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.855 -1.153 . . . . 0.0 111.579 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 87.8 m-70 -113.62 -9.86 13.18 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.924 -1.11 . . . . 0.0 112.091 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 tt0 41.18 54.8 3.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.578 -1.326 . . . . 0.0 111.685 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.9 154.17 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.091 . . . . 0.0 109.138 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -100.5 134.64 20.52 Favored Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.274 -0.891 . . . . 0.0 109.824 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 45' ' ' THR . 12.2 Cg_exo -48.47 152.04 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 CA-C-N 119.94 1.014 . . . . 0.0 112.05 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.62 18.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.363 -0.835 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.545 ' H ' ' C ' ' A' ' 43' ' ' PRO . 32.6 p -67.13 -15.93 64.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.637 -1.289 . . . . 0.0 109.648 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.58 -5.28 39.56 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.116 -0.99 . . . . 0.0 109.552 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -80.35 126.39 31.1 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.813 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 19.2 ttmm -125.17 138.61 54.14 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 65.8 t0 -40.21 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.205 -0.934 . . . . 0.0 110.679 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.48 -175.02 21.69 Favored Glycine 0 N--CA 1.494 2.554 0 O-C-N 120.953 -1.092 . . . . 0.0 110.572 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.57 139.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -1.087 . . . . 0.0 108.986 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.59 149.1 44.27 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.81 46.38 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.746 -1.221 . . . . 0.0 110.54 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 54' ' ' ARG . 24.6 mmm-85 -145.81 167.44 23.19 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.521 0.677 . . . . 0.0 109.726 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.98 136.06 57.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 0.0 108.804 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' CZ ' " H5'" ' C' ' 126' ' ' ' DC' . 31.7 tpt180 -59.09 130.0 44.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 111.268 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 57' ' ' LYS . 50.8 pttt -64.58 -169.68 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.77 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -60.97 142.06 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.307 -0.871 . . . . 0.0 109.5 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -85.43 111.95 20.42 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.148 -0.97 . . . . 0.0 108.485 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -117.36 120.35 37.92 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.451 -0.781 . . . . 0.0 109.804 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' NZ ' ' OP1' ' C' ' 127' ' ' ' DT' . 68.4 mmtt -102.19 118.65 37.33 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.43 162.65 32.97 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -155.45 155.12 32.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.422 -1.046 . . . . 0.0 108.195 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.07 -42.78 95.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.065 -1.022 . . . . 0.0 108.372 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -106.27 128.89 54.3 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.325 -0.859 . . . . 0.0 108.944 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.16 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 0 O4'-C1'-N19 110.885 3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.718 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.686 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C3'-C2'-C1' 106.927 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.096 1 O4'-C1'-N19 112.134 5.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.548 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.389 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 1 O4'-C1'-N19 111.738 4.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.404 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.513 1 O4'-C1'-N19 112.544 5.93 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.834 0 C3'-C2'-C1' 106.66 2.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.579 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.537 1 O4'-C1'-N19 111.258 4.323 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.774 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.579 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.047 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.975 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.542 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.865 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.542 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 112.128 5.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.726 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.463 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.548 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.469 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.441 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.857 1 O4'-C1'-N19 112.621 6.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.454 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.156 0 C3'-C2'-C1' 107.287 3.276 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.477 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.819 0 O4'-C1'-N19 110.935 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 111.529 4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.161 1 O4'-C1'-N19 111.053 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -61.52 -40.07 93.3 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.52 122.38 6.21 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.19 -9.98 65.03 Favored Glycine 0 N--CA 1.496 2.643 0 O-C-N 121.202 -0.936 . . . . 0.0 111.378 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -66.58 115.38 6.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.774 -1.427 . . . . 0.0 110.505 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.39 140.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -61.88 117.06 5.4 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.856 -1.152 . . . . 0.0 110.888 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.23 -40.0 88.69 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.812 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' OD1' HG11 ' A' ' 27' ' ' VAL . 9.9 m120 -74.52 -39.88 62.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.916 -1.115 . . . . 0.0 112.016 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.3 p -130.29 15.59 5.58 Favored 'General case' 0 N--CA 1.509 2.524 0 O-C-N 120.677 -1.264 . . . . 0.0 112.935 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' CYS . 66.2 mt-30 57.21 -1.79 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.774 -1.204 . . . . 0.0 113.157 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -62.4 151.99 35.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 119.918 -1.739 . . . . 0.0 108.982 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -127.92 6.21 6.03 Favored 'General case' 0 N--CA 1.511 2.617 0 O-C-N 121.052 -1.03 . . . . 0.0 109.215 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.703 ' O ' HD11 ' A' ' 51' ' ' ILE . 10.1 p -105.37 49.84 0.8 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.27 -0.893 . . . . 0.0 108.749 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.522 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -79.36 148.18 32.13 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.339 -0.851 . . . . 0.0 111.993 -176.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.5 p -76.62 -39.88 51.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.9 tp -145.26 132.37 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.3 m95 -81.18 130.31 34.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.0 110.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.748 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.1 mmt180 -117.5 122.49 43.87 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 0.0 108.992 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -70.04 141.25 52.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 119.934 -1.729 . . . . 0.0 106.508 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -86.14 151.58 54.45 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 120.757 -1.214 . . . . 0.0 109.321 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -47.0 -24.67 3.38 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 121.05 1.166 . . . . 0.0 113.055 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 ptm -92.16 -14.64 28.78 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.168 -0.957 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 25.07 8.39 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.12 113.58 62.21 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.263 . . . . 0.0 109.146 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -48.96 135.58 29.25 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.146 1.088 . . . . 0.0 112.868 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.439 HG11 ' OD1' ' A' ' 9' ' ' ASN . 4.4 m -138.88 160.13 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.3 153.2 25.96 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.748 ' ND2' HH21 ' A' ' 19' ' ' ARG . 20.7 t-20 -38.58 -43.66 0.89 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.768 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -47.59 48.26 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.783 -1.198 . . . . 0.0 112.184 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.59 -46.13 91.16 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.442 -1.411 . . . . 0.0 109.582 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.78 -54.73 31.4 Favored Glycine 0 N--CA 1.485 1.966 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.317 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.75 -47.09 82.41 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.16 -1.2 . . . . 0.0 110.069 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.99 -45.17 93.61 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.596 -1.315 . . . . 0.0 110.323 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLN . 13.6 t80 -66.08 -46.91 76.02 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.729 0.776 . . . . 0.0 110.749 -178.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.04 -40.94 91.1 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 120.048 -1.658 . . . . 0.0 109.898 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -71.04 -40.67 71.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.999 -1.063 . . . . 0.0 111.375 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.726 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.8 m-70 -117.82 0.98 12.08 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.936 -1.102 . . . . 0.0 112.065 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' TYR . 23.5 pt20 35.11 41.44 0.07 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.943 -1.098 . . . . 0.0 113.131 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.5 m -140.38 155.46 23.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -85.63 159.31 19.87 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.224 -0.922 . . . . 0.0 108.608 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.589 HH11 ' HG2' ' A' ' 42' ' ' ARG . 1.1 ptt-85 -140.31 151.11 63.49 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 120.714 -1.241 . . . . 0.0 109.071 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -45.35 151.03 1.04 Allowed 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 120.614 0.876 . . . . 0.0 112.116 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.4 mp -79.06 -19.94 50.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.296 -0.878 . . . . 0.0 110.54 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 t -50.97 -7.33 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.09 -1.006 . . . . 0.0 109.693 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' LEU . 24.1 ttt -76.51 -39.47 52.96 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 0.0 110.078 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.625 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -75.7 156.23 34.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.005 -178.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -104.24 -172.47 2.11 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.92 3.82 53.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 108.77 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.39 179.79 29.47 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.703 HD11 ' O ' ' A' ' 14' ' ' THR . 15.9 mt -85.95 139.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.701 -1.47 . . . . 0.0 108.464 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.93 144.2 31.11 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.087 0.946 . . . . 0.0 111.292 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.1 155.75 49.5 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -151.32 163.42 38.94 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -56.29 136.54 53.2 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 82.6 mtt180 -66.25 134.55 52.91 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.447 -0.783 . . . . 0.0 110.4 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -65.19 -169.67 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.109 -0.994 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.96 148.1 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.275 -0.891 . . . . 0.0 109.522 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.0 p -75.61 154.21 36.82 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.085 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -152.6 155.62 37.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.416 -0.803 . . . . 0.0 109.141 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 63' ' ' LYS . 59.5 pttt -142.91 159.96 41.24 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.359 -0.838 . . . . 0.0 108.832 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.79 84.65 0.01 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.325 -0.941 . . . . 0.0 110.879 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 61' ' ' LYS . 82.8 tttt -119.99 112.06 18.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.492 -1.005 . . . . 0.0 108.949 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 66' ' ' ARG . 60.2 mmtt -146.84 171.03 15.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' A' ' 65' ' ' ARG . 35.4 mtm-85 -65.91 35.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 109.7 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 64' ' ' LYS . 42.0 ttp180 . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.785 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.689 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.448 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.448 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.402 3.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.116 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.717 3.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.711 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.485 3.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.593 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.45 2.327 1 O4'-C1'-N19 112.793 6.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.463 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.666 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 111.873 5.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.572 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.122 2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.452 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.341 4.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.878 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.542 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.543 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.996 5.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.543 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 112.116 5.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.632 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.078 0 O4'-C1'-N19 110.732 3.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.463 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C1' 1.45 2.281 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.499 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.266 0 O5'-C5'-C4' 114.819 3.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.499 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.125 1 O4'-C1'-N19 112.045 5.307 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.427 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.682 0 C3'-C2'-C1' 107.387 3.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.179 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.811 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.225 4.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 5' ' ' THR . 78.2 tttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -70.09 -34.4 73.09 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.1 118.8 3.45 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.342 -0.849 . . . . 0.0 110.924 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -10.06 62.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 121.179 -0.951 . . . . 0.0 111.273 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.0 m -67.74 111.82 4.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.755 -1.438 . . . . 0.0 110.388 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.82 140.75 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 41.8 t -61.15 118.12 6.42 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.68 -1.262 . . . . 0.0 110.563 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -60.02 -39.96 87.63 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.097 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -77.24 -38.73 50.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.965 -1.084 . . . . 0.0 112.155 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.61 15.82 5.94 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.024 1.284 . . . . 0.0 112.946 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.6 mt-30 55.33 -1.88 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.621 -1.299 . . . . 0.0 113.543 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -62.49 150.35 40.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 119.994 -1.691 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -123.93 4.01 8.72 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.073 -1.017 . . . . 0.0 109.305 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.518 ' O ' HD11 ' A' ' 51' ' ' ILE . 11.1 p -102.76 51.45 0.8 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.375 -0.828 . . . . 0.0 109.895 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.509 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -80.28 145.94 31.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 0.0 111.632 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.454 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 7.2 p -74.35 -39.92 62.47 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 5.1 tp -144.28 131.92 21.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.7 m95 -79.24 129.96 34.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.024 -1.047 . . . . 0.0 110.534 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.666 ' NH1' HD23 ' A' ' 17' ' ' LEU . 6.4 mmt-85 -120.11 132.4 55.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.788 -0.57 . . . . 0.0 110.717 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -83.44 145.99 28.66 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.502 -1.374 . . . . 0.0 107.574 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 162.51 28.62 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.036 -1.04 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -50.9 -24.57 14.0 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.179 1.253 . . . . 0.0 113.304 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.14 -6.15 45.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.003 -1.061 . . . . 0.0 109.436 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.38 28.07 18.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -100.13 115.25 65.68 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.147 -1.208 . . . . 0.0 109.724 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -51.25 122.61 10.38 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.191 1.104 . . . . 0.0 112.286 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -129.99 160.02 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 O-C-N 121.609 -0.682 . . . . 0.0 110.087 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 20.9 p -81.38 154.08 26.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 108.773 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -49.71 -29.93 8.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.157 -0.964 . . . . 0.0 111.749 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 47' ' ' ARG . . . -74.91 -50.95 15.1 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.493 -1.38 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m -58.19 -44.65 88.18 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.535 -1.353 . . . . 0.0 109.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.9 -49.3 67.38 Favored Glycine 0 C--N 1.291 -1.941 0 C-N-CA 119.391 -1.385 . . . . 0.0 110.202 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.71 -48.96 62.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.105 -1.232 . . . . 0.0 109.607 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' OH ' ' NE ' ' A' ' 42' ' ' ARG . 64.4 t80 -60.03 -48.21 82.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.179 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.659 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.4 t80 -60.54 -46.07 91.52 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.739 0.781 . . . . 0.0 110.489 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.0 -40.77 90.36 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 120.1 -1.625 . . . . 0.0 110.093 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.55 -48.27 49.66 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.128 -0.982 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.632 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 90.2 m-70 -106.68 -10.97 15.95 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.068 -1.02 . . . . 0.0 112.27 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.659 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.0 tt0 44.48 51.13 7.98 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.373 -1.454 . . . . 0.0 111.931 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.96 153.88 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 120.843 -1.16 . . . . 0.0 108.472 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 25.9 p30 -84.53 135.48 34.2 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -123.55 128.2 25.28 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.011 -1.055 . . . . 0.0 110.016 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.31 152.47 0.17 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.299 1.333 . . . . 0.0 114.086 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.4 mp -63.98 -9.99 18.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.811 -0.556 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' LEU . 44.4 p -45.12 -21.61 0.08 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.871 -1.143 . . . . 0.0 109.548 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.4 ttt -77.47 -42.71 34.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.481 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 30' ' ' ALA . 26.1 mtt-85 -80.82 162.94 23.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 110.368 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -116.42 -160.14 0.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.494 0.664 . . . . 0.0 109.887 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.3 3.98 54.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.432 -0.792 . . . . 0.0 109.654 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.65 179.72 29.73 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 108.784 -1.727 . . . . 0.0 108.784 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 14' ' ' THR . 4.6 mt -87.15 132.75 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.866 -1.373 . . . . 0.0 108.7 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 142.32 48.24 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.537 -0.727 . . . . 0.0 109.543 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 158.45 44.32 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.565 -1.334 . . . . 0.0 109.708 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -146.34 163.66 34.84 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.777 0.799 . . . . 0.0 110.383 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -55.23 139.29 42.77 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 3.9 tpp180 -58.37 123.17 15.21 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.542 -0.724 . . . . 0.0 109.696 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.8 -173.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.514 -0.741 . . . . 0.0 110.326 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.32 136.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.607 -0.683 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -86.7 111.26 20.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.075 -1.016 . . . . 0.0 108.997 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.0 t -112.37 57.1 0.65 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.6 -0.688 . . . . 0.0 109.331 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.49 -39.95 95.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.454 -0.779 . . . . 0.0 109.761 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.57 157.71 29.09 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -174.22 14.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.999 -1.063 . . . . 0.0 109.873 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.64 143.69 42.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.34 -179.391 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.198 4.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.731 3.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C1'-N19 110.489 3.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.819 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.199 0 O4'-C1'-N19 110.222 3.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.559 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.116 1 O4'-C1'-N19 112.343 5.679 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.494 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.772 1 O4'-C1'-N19 111.485 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 O4'-C1'-N19 110.922 3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.509 1 O4'-C1'-N19 111.436 4.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 1 O4'-C1'-N19 111.794 4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.791 0 C3'-C2'-C1' 107.039 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.571 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.888 0 O4'-C1'-N19 110.913 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.443 ' H71' " H2'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.785 3.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.886 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 C3'-C2'-C1' 106.97 3.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.571 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.821 3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.47 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.47 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 112.094 5.368 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.658 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.144 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.629 ' OP1' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . 0 O4'--C1' 1.451 2.401 1 O4'-C1'-N19 111.424 4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.494 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.449 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.247 1 O4'-C1'-N19 112.875 6.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.404 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.141 0 C3'-C2'-C1' 107.366 3.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.798 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 C3'-C2'-C1' 106.982 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.698 4.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.559 4.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.475 ' O ' ' OG1' ' A' ' 5' ' ' THR . 59.8 mttp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.714 ' CD ' ' HE1' ' A' ' 18' ' ' TRP . 10.6 tpt180 -68.6 -39.68 80.78 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.475 0.655 . . . . 0.0 109.32 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.43 118.33 2.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.419 -0.801 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.69 -11.62 55.7 Favored Glycine 0 N--CA 1.499 2.871 0 O-C-N 121.257 -0.902 . . . . 0.0 111.874 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.6 m -64.12 116.41 5.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.561 -1.553 . . . . 0.0 110.025 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -121.95 142.26 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 12' ' ' THR . 20.0 t -60.51 116.78 4.58 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.703 -1.248 . . . . 0.0 110.751 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.669 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -79.17 -38.12 36.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 112.625 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.546 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.2 p -129.21 5.53 5.29 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 121.057 1.753 . . . . 0.0 113.68 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 57.05 46.21 19.65 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.288 -1.507 . . . . 0.0 112.503 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 13.3 t -101.85 148.31 25.47 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -120.39 9.8 11.06 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 121.105 1.775 . . . . 0.0 108.715 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 9.5 p -115.36 49.78 1.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.543 -0.723 . . . . 0.0 109.765 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.3 p -77.49 149.75 34.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.03 . . . . 0.0 111.591 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -78.82 -41.12 31.03 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.848 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.6 tp -142.76 131.01 22.07 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.714 ' HE1' ' CD ' ' A' ' 2' ' ' ARG . 83.1 m95 -81.49 130.37 35.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.888 -1.133 . . . . 0.0 110.023 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.848 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -114.92 119.23 35.82 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.359 -0.838 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -70.02 142.86 52.7 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 159.83 37.87 Favored Pre-proline 0 N--CA 1.504 2.238 0 O-C-N 120.931 -1.106 . . . . 0.0 110.109 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.03 -21.55 12.66 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.002 1.135 . . . . 0.0 112.372 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.8 mtt -96.04 -12.9 24.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.0 109.915 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.66 26.32 13.5 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 6.0 m-20 -105.4 109.92 63.75 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.046 -1.267 . . . . 0.0 108.741 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.09 129.58 15.41 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 120.9 1.066 . . . . 0.0 113.523 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.81 162.01 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.526 0 O-C-N 121.532 -0.73 . . . . 0.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.4 p -83.67 155.99 22.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.989 -1.069 . . . . 0.0 111.465 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.708 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.6 t-20 -46.58 -33.61 4.28 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.855 -0.528 . . . . 0.0 111.234 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.629 ' HB1' ' OP1' ' C' ' 123' ' ' ' DT' . . . -74.31 -54.38 7.77 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.907 -1.12 . . . . 0.0 110.738 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -55.83 -45.32 78.4 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.717 -1.239 . . . . 0.0 109.98 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -49.29 55.46 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 118.794 -1.669 . . . . 0.0 110.048 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.82 -49.58 29.48 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 110.223 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 60.8 t80 -59.99 -48.01 83.49 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.615 -1.303 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.1 t80 -61.02 -47.58 85.77 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.548 0.69 . . . . 0.0 109.817 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.01 -42.9 95.3 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.388 -1.445 . . . . 0.0 110.407 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.03 -40.0 75.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.034 -1.041 . . . . 0.0 111.592 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.658 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.1 m-70 -117.43 -0.36 11.97 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 121.058 -1.026 . . . . 0.0 112.494 -177.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.2 pt20 36.62 46.39 0.45 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.637 -1.289 . . . . 0.0 113.236 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.0 153.42 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.106 -0.996 . . . . 0.0 108.418 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.2 p30 -86.79 132.29 33.89 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.992 -1.068 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.596 ' NH1' ' CD1' ' A' ' 34' ' ' TYR . 8.7 ptm180 -104.94 150.67 38.97 Favored Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 121.142 -0.974 . . . . 0.0 110.209 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -60.49 151.45 75.01 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 121.371 1.381 . . . . 0.0 112.857 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 10' ' ' CYS . 8.7 mp -72.95 -6.28 44.23 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.52 -0.738 . . . . 0.0 111.283 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 p -54.42 -9.91 0.35 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 109.441 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' LEU . 17.8 ttt -91.79 -21.51 20.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 0.0 110.47 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -76.67 148.15 37.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.036 -1.04 . . . . 0.0 110.157 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -142.05 163.5 32.71 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.194 -0.941 . . . . 0.0 109.791 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.51 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.639 -0.663 . . . . 0.0 112.232 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.33 -171.7 13.06 Favored Glycine 0 N--CA 1.498 2.787 0 O-C-N 121.29 -0.882 . . . . 0.0 111.152 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.8 mt -91.26 147.26 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.645 -0.914 . . . . 0.0 109.758 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.58 144.0 46.2 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.735 . . . . 0.0 110.114 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.82 153.67 48.39 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.778 -1.201 . . . . 0.0 109.962 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.46 162.0 39.92 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.582 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.78 139.32 39.95 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' LYS . 91.9 mtt180 -67.4 134.76 52.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 109.866 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' ARG . 55.2 pttt -55.33 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.155 -0.965 . . . . 0.0 109.849 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.12 139.13 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.252 -0.905 . . . . 0.0 108.56 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.3 p -83.96 129.72 34.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 0.0 108.82 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -136.3 124.61 23.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.411 -0.806 . . . . 0.0 109.628 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -110.86 132.84 53.87 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.44 99.26 0.02 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -68.4 -37.0 79.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -1.191 . . . . 0.0 108.537 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -146.47 148.54 32.35 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -160.71 141.54 11.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.048 -1.032 . . . . 0.0 109.188 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 117.812 -1.089 . . . . 0.0 109.247 179.722 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.558 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.456 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.248 1 O4'-C1'-N19 111.158 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.516 3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.817 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.564 3.455 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 1.956 1 O4'-C1'-N19 111.864 5.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.508 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.94 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.456 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.027 4.034 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 2.703 1 O4'-C1'-N19 111.449 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 O4'-C1'-N19 110.411 3.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.206 1 O4'-C1'-N19 111.632 4.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 C3'-C2'-C1' 107.094 3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.666 4.833 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.539 4.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.289 3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.381 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.45 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.005 4.006 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.45 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.94 5.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.464 ' P ' HH12 ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.489 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.48 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.37 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.48 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C1'-N19 112.185 5.481 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.442 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.528 0 C3'-C2'-C1' 107.384 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.206 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.493 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.796 3.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.858 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.446 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 5' ' ' THR . 68.3 mmtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HD3' ' HE1' ' A' ' 18' ' ' TRP . 10.0 mtt180 -92.47 -9.24 42.18 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.119 -0.988 . . . . 0.0 109.271 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.61 118.58 15.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.999 -179.27 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 -12.8 39.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 6.4 m -61.57 119.97 9.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.115 -1.226 . . . . 0.0 110.739 -178.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -122.51 141.69 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.9 t -66.86 118.27 10.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.47 -1.394 . . . . 0.0 110.803 -179.363 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.673 -0.642 . . . . 0.0 110.322 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' H ' HG12 ' A' ' 27' ' ' VAL . 8.7 m120 -75.97 -39.25 56.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.967 -1.083 . . . . 0.0 112.897 -177.466 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 p -129.27 15.18 6.16 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.597 1.544 . . . . 0.0 111.922 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 26.1 mp0 56.85 2.0 0.09 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.947 -1.095 . . . . 0.0 113.392 177.109 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -64.41 149.96 47.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.943 -1.723 . . . . 0.0 108.845 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -111.02 -3.82 15.37 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.236 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 p -107.23 122.26 46.18 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.404 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -146.61 149.5 33.65 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.095 -1.003 . . . . 0.0 109.829 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.942 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.1 tp -146.51 131.45 18.15 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.044 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.45 ' HE1' ' HD3' ' A' ' 2' ' ' ARG . 86.6 m95 -81.96 129.95 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.744 -1.223 . . . . 0.0 109.239 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.942 ' NH1' HD23 ' A' ' 17' ' ' LEU . 15.2 mmt180 -112.89 119.06 36.65 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.241 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 21' ' ' SER . 19.7 mmt180 -87.42 87.01 7.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.207 -1.558 . . . . 0.0 109.427 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -34.04 157.68 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.741 -0.599 . . . . 0.0 111.048 -178.777 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -57.08 -5.92 1.62 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.098 1.199 . . . . 0.0 112.773 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 tpp -95.7 -16.21 22.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.184 -0.948 . . . . 0.0 108.651 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.21 24.57 18.94 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.01 133.52 20.2 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 120.922 -1.34 . . . . 0.0 108.731 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.79 133.52 23.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 119.811 0.968 . . . . 0.0 113.411 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 9' ' ' ASN . 3.6 m -139.77 160.3 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 O-C-N 121.47 -0.769 . . . . 0.0 109.126 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.11 154.61 24.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.597 -1.314 . . . . 0.0 109.298 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.734 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.3 t-20 -49.74 -32.68 14.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.254 -0.904 . . . . 0.0 110.721 -177.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -54.24 14.64 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.53 -1.356 . . . . 0.0 110.094 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.4 m -57.81 -45.54 85.97 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.884 -1.135 . . . . 0.0 109.761 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.0 47.13 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.333 -1.413 . . . . 0.0 110.177 -178.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' OD1' ' A' ' 29' ' ' ASN . 49.7 mt -68.13 -49.43 61.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -1.181 . . . . 0.0 110.38 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.455 ' CB ' ' NH1' ' A' ' 42' ' ' ARG . 22.0 t80 -60.18 -42.62 95.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.471 -1.393 . . . . 0.0 109.598 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.624 ' O ' ' N ' ' A' ' 39' ' ' GLN . 31.4 t80 -63.99 -49.96 70.42 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.638 0.732 . . . . 0.0 110.211 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.92 -39.92 87.09 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.257 -1.527 . . . . 0.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.04 -49.43 77.7 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.42 -1.425 . . . . 0.0 108.217 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 72.0 m-70 -101.58 -71.36 0.72 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.4 tt0 110.04 56.85 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.029 0 CA-C-O 122.015 0.912 . . . . 0.0 108.962 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.0 159.69 4.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 52.3 p-10 -75.66 151.12 37.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.909 -1.119 . . . . 0.0 109.43 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 HH12 ' P ' ' C' ' 123' ' ' ' DT' . 10.8 ptm180 -123.95 151.27 64.7 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.007 -1.058 . . . . 0.0 109.663 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.1 Cg_endo -61.85 150.7 84.96 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 120.822 1.014 . . . . 0.0 112.369 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 44' ' ' LEU . 11.0 mp -69.39 18.96 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.193 -0.942 . . . . 0.0 110.501 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 43' ' ' PRO . 21.2 p -66.09 -16.04 63.6 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.065 -1.022 . . . . 0.0 108.658 179.116 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 85.4 mmm -99.34 -5.1 30.26 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.533 -0.729 . . . . 0.0 109.53 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -80.57 125.47 30.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 110.828 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' ASP . 86.1 tttt -127.54 146.02 50.66 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' LYS . 21.7 t70 -41.79 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 110.62 -179.002 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.42 -169.96 36.21 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.389 -1.085 . . . . 0.0 110.389 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.92 139.98 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.976 . . . . 0.0 109.99 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.17 155.57 34.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.1 158.99 43.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.039 -1.038 . . . . 0.0 110.226 -179.286 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -151.25 167.32 28.21 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.99 139.04 28.91 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.274 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -71.91 137.07 47.14 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.688 0.756 . . . . 0.0 112.154 -177.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -44.86 157.86 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.746 -0.596 . . . . 0.0 109.447 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.65 137.55 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.807 -1.183 . . . . 0.0 108.121 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.0 p -71.66 141.51 49.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.614 -1.303 . . . . 0.0 109.404 -178.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.1 t -150.47 141.21 22.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.24 -0.913 . . . . 0.0 109.915 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -119.62 135.08 54.95 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.85 4.99 63.63 Favored Glycine 0 N--CA 1.497 2.742 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -63.47 -39.92 95.75 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.178 -1.189 . . . . 0.0 110.642 -179.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.32 -80.03 0.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.308 -0.87 . . . . 0.0 110.062 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -86.97 147.08 25.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.998 -1.064 . . . . 0.0 108.918 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.595 -179.511 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.61 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.467 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.726 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C1'-N19 110.666 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 C4'-C3'-C2' 106.256 3.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.566 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.049 1 O4'-C1'-N19 112.705 6.131 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.56 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.43 ' H71' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.506 1 O4'-C1'-N19 112.149 5.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 112.181 5.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 0 O4'-C1'-N19 110.053 2.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.738 4.922 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.482 4.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.823 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.551 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.215 1 O4'-C1'-N19 111.155 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.512 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 1 O4'-C1'-N19 112.226 5.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.512 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 112.062 5.327 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.633 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.457 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C1' 1.45 2.271 1 O4'-C1'-N19 111.101 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.945 5.181 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.564 3.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.753 1 O4'-C1'-N19 111.581 4.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.255 0 O4'-C1'-N19 110.705 3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.545 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.461 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.132 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 5' ' ' THR . 40.5 mtmt . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.565 0.698 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -65.55 -35.62 81.4 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.97 118.61 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 -9.42 66.38 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.066 -1.022 . . . . 0.0 110.976 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 10.2 m -69.33 114.8 7.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.815 -1.403 . . . . 0.0 110.33 -179.058 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -118.58 141.76 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.8 t -60.05 118.81 6.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.74 -1.225 . . . . 0.0 111.216 -178.384 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.211 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.26 -38.91 55.6 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 120.985 -1.072 . . . . 0.0 111.825 -178.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -130.74 10.59 5.12 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.264 1.393 . . . . 0.0 112.975 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.0 mt-30 61.47 4.49 0.99 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 175.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -65.46 163.47 15.79 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.953 -1.717 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -135.37 15.74 3.44 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.027 178.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 28.0 p -120.36 48.48 1.58 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-O 121.882 0.848 . . . . 0.0 108.95 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.504 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -75.11 150.01 38.92 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 121.142 -0.974 . . . . 0.0 112.289 -176.43 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -75.0 -43.36 54.33 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 5.6 tp -144.21 130.94 20.17 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ3' HG21 ' A' ' 15' ' ' THR . 82.1 m95 -79.85 129.94 34.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 0.0 109.95 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.616 ' CZ ' HD23 ' A' ' 17' ' ' LEU . 23.4 mmt180 -117.92 122.48 43.39 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 0.0 108.94 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -71.91 142.42 49.48 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 119.656 -1.903 . . . . 0.0 107.595 178.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -90.4 156.68 45.54 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.178 -0.951 . . . . 0.0 108.946 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -49.07 -22.79 5.5 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.037 1.158 . . . . 0.0 112.977 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.9 tpp -92.64 -10.22 38.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 109.606 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.9 26.42 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.3 m-20 -101.32 112.67 65.4 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.476 -1.014 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -50.4 139.11 37.69 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 CA-C-N 120.215 1.112 . . . . 0.0 113.209 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.5 m -139.8 161.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.37 0 O-C-N 121.472 -0.767 . . . . 0.0 109.651 178.43 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.49 154.69 23.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.881 -1.137 . . . . 0.0 109.577 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.808 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.1 OUTLIER -43.34 -40.79 3.77 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.798 -0.564 . . . . 0.0 112.178 -178.019 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.24 42.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.486 -1.384 . . . . 0.0 111.95 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 m -57.8 -43.36 85.61 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.646 -1.284 . . . . 0.0 110.514 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.0 -49.48 66.83 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 119.439 -1.363 . . . . 0.0 110.152 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.93 -48.12 69.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.276 -1.132 . . . . 0.0 110.184 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.474 ' CE2' ' OP1' ' C' ' 122' ' ' ' DT' . 55.3 t80 -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.807 -1.183 . . . . 0.0 108.836 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.6 t80 -68.17 -50.22 55.9 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.71 -0.619 . . . . 0.0 111.499 -178.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG3' HD12 ' A' ' 37' ' ' LEU . 50.4 pttt -60.52 -39.67 88.64 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 119.774 -1.829 . . . . 0.0 110.116 -178.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 36' ' ' LYS . 7.7 mp -64.31 -42.01 96.56 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.013 -1.054 . . . . 0.0 111.784 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.4 m-70 -123.02 -3.52 8.58 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.95 -1.094 . . . . 0.0 111.545 -177.503 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.7 tt0 42.38 56.44 3.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.539 -1.351 . . . . 0.0 111.633 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.39 153.1 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.46 129.55 34.82 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.121 -0.987 . . . . 0.0 110.532 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 42' ' ' ARG . 3.8 ttt-85 -104.45 133.17 20.34 Favored Pre-proline 0 N--CA 1.503 2.189 0 O-C-N 121.27 -0.894 . . . . 0.0 109.421 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.5 Cg_exo -48.35 152.46 3.79 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 120.954 1.103 . . . . 0.0 114.013 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.5 mp -60.9 5.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.753 -0.592 . . . . 0.0 110.428 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PRO . 64.5 p -60.91 -14.53 22.94 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 109.077 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.457 ' SD ' ' OP1' ' C' ' 123' ' ' ' DT' . 9.9 ttt -100.0 -7.78 24.68 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.576 -0.703 . . . . 0.0 109.343 -179.34 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -78.4 132.39 37.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.409 -0.807 . . . . 0.0 110.712 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -124.23 139.89 53.49 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -43.57 -86.29 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.119 -0.988 . . . . 0.0 110.32 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.95 -174.14 21.42 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 14' ' ' THR . 2.8 mt -91.07 142.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.262 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.97 153.79 30.07 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 165.22 27.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.979 -1.075 . . . . 0.0 111.165 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -149.57 163.15 38.64 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.995 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.87 138.79 57.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.26 -0.9 . . . . 0.0 108.808 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.81 130.33 43.74 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.354 -0.842 . . . . 0.0 110.36 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -58.73 -173.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.404 -0.81 . . . . 0.0 109.587 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.95 142.35 12.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.1 p -79.54 117.9 20.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.042 -1.036 . . . . 0.0 109.82 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -160.1 150.66 18.72 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.78 146.99 29.64 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.402 -0.811 . . . . 0.0 108.847 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.49 123.81 6.65 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -100.01 110.0 22.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.111 . . . . 0.0 109.56 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -67.91 -36.23 79.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.066 -1.021 . . . . 0.0 109.035 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.28 143.18 50.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.674 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.567 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.306 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.412 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.412 ' H72' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.417 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.897 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.391 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.441 ' OP1' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.179 0 O4'-C1'-N19 110.669 3.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.767 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.028 1 O4'-C1'-N19 111.755 4.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.575 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.795 3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.475 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 1 O4'-C1'-N19 111.51 4.638 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.433 ' OP1' ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.425 0 C3'-C2'-C1' 107.223 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 111.382 4.478 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.221 4.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.816 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.439 3.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.236 1 O4'-C1'-N19 111.093 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 1 O4'-C1'-N19 111.943 5.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.55 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.619 4.774 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.55 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.725 4.907 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.467 ' OP1' ' CD2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.285 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.333 1 O4'-C1'-N19 111.59 4.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.515 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.702 1 O4'-C1'-N19 111.3 4.375 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.515 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C1'-N19 112.055 5.318 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.968 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.511 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.641 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 1 O4'-C1'-N19 111.66 4.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.374 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.448 ' O ' ' OG1' ' A' ' 5' ' ' THR . 56.1 mtpt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.607 ' H ' ' NE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -64.29 -39.28 93.61 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.413 179.849 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.04 119.63 4.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.7 -0.625 . . . . 0.0 111.161 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.36 -8.87 69.33 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 178.554 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.6 m -66.28 117.76 9.01 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.837 -1.39 . . . . 0.0 110.914 -178.487 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.62 140.76 43.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.1 t -63.91 117.59 7.2 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.367 -1.458 . . . . 0.0 109.339 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -60.89 -40.0 91.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.321 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -73.55 -39.22 64.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.005 -178.207 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.33 14.64 6.12 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.003 1.274 . . . . 0.0 112.23 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.4 mm-40 55.08 -0.34 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.874 -1.141 . . . . 0.0 113.097 177.302 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -60.45 145.25 48.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 119.958 -1.714 . . . . 0.0 107.963 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.18 -6.9 15.4 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.377 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -101.77 120.13 39.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.144 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.436 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.5 p -144.49 146.96 32.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.127 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -73.2 -39.97 65.13 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.453 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.9 tp -144.62 131.84 20.62 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.068 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ3' HG21 ' A' ' 15' ' ' THR . 74.8 m95 -79.6 130.41 35.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.005 -1.059 . . . . 0.0 110.146 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 21.7 mmt180 -111.73 179.66 3.95 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.41 -0.806 . . . . 0.0 109.655 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -130.82 140.13 50.24 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 159.81 36.64 Favored Pre-proline 0 N--CA 1.504 2.242 0 O-C-N 120.828 -1.17 . . . . 0.0 109.376 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -53.94 -13.36 4.4 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 120.957 1.104 . . . . 0.0 112.089 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.5 ttm -98.85 -11.34 21.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.427 -0.796 . . . . 0.0 109.66 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.74 27.87 15.74 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.5 m-20 -102.25 114.01 65.63 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.196 -1.179 . . . . 0.0 109.258 179.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -48.95 137.04 28.71 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 CA-C-N 120.041 1.05 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.9 m -140.89 159.8 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.505 -0.747 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 p -84.14 155.26 22.68 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.795 -1.19 . . . . 0.0 110.032 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.693 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.1 OUTLIER -45.04 -35.06 2.78 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.353 -0.842 . . . . 0.0 111.412 -178.042 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.22 16.93 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.855 -1.153 . . . . 0.0 111.555 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' HD22 ' A' ' 9' ' ' ASN . 39.5 m -57.84 -41.56 82.57 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.577 -1.327 . . . . 0.0 110.549 -178.742 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.94 73.12 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 119.069 -1.538 . . . . 0.0 110.677 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 HD22 ' A' ' 29' ' ' ASN . 26.9 mt -68.9 -45.43 70.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.983 -1.304 . . . . 0.0 109.563 -179.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.0 -49.33 78.11 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.942 -1.099 . . . . 0.0 108.939 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.6 t80 -64.18 -47.78 78.51 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.532 0.682 . . . . 0.0 110.539 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.93 -41.85 92.7 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.215 -1.553 . . . . 0.0 110.025 -178.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.15 -39.94 75.07 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.163 -0.96 . . . . 0.0 111.684 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' VAL . 88.7 m-70 -121.54 5.35 10.11 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.943 -1.098 . . . . 0.0 112.286 -178.177 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER 30.41 48.72 0.06 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.045 -1.034 . . . . 0.0 113.44 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 38' ' ' HIS . 12.1 m -141.95 150.73 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 108.814 178.124 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.07 135.31 34.46 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.852 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.21 149.99 50.52 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.912 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -43.4 152.7 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.159 1.24 . . . . 0.0 113.172 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.0 mp -82.16 4.39 23.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 109.678 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 p -55.03 -6.43 0.13 Allowed 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.549 -0.719 . . . . 0.0 109.526 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -90.43 -18.22 25.8 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.174 -0.954 . . . . 0.0 110.686 -179.532 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.49 137.7 36.49 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.871 -1.143 . . . . 0.0 111.203 -178.805 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.4 mtpt -128.67 151.31 49.66 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -52.23 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 112.255 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.78 175.28 32.15 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 120.363 -1.461 . . . . 0.0 110.228 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.32 134.39 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.291 . . . . 0.0 108.018 178.06 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.95 148.69 48.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.78 155.02 48.52 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.727 -1.233 . . . . 0.0 110.273 -179.47 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH2' ' OP1' ' B' ' 113' ' ' ' DC' . 7.6 tpt180 -150.94 165.71 32.85 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.227 -179.347 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -52.89 139.44 27.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -62.43 130.02 43.3 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.822 0.82 . . . . 0.0 112.079 -177.364 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -43.64 162.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.869 -0.52 . . . . 0.0 109.68 178.77 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.36 146.45 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -85.55 109.99 18.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.759 -1.213 . . . . 0.0 108.702 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 t -127.97 134.09 49.25 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 7.5 ttpm? -88.69 127.77 35.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.142 -0.974 . . . . 0.0 108.942 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.86 24.13 2.42 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' H ' ' HG2' ' A' ' 61' ' ' LYS . 16.2 ttmm -154.67 57.89 0.68 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.971 -1.311 . . . . 0.0 109.529 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.93 -40.03 75.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.265 -0.897 . . . . 0.0 109.845 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -144.37 140.07 28.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.555 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.177 2.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.073 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.539 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.665 3.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.548 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.187 1 O4'-C1'-N19 112.354 5.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.548 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.292 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.435 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.52 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.835 5.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.207 0 C3'-C2'-C1' 106.835 2.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.306 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.5 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.838 5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.298 4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.429 ' C8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.586 4.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.519 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 112.179 5.473 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.519 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 112.018 5.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.696 ' OP2' ' CE1' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.241 1 O4'-C1'-N19 111.423 4.528 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.414 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.447 2.102 1 O4'-C1'-N19 111.514 4.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.549 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.822 0 O5'-C5'-C4' 115.0 3.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.543 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.99 5.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 O4'-C1'-N19 110.611 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.433 4.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.539 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.243 3.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.516 3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.228 4.284 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.01 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.577 ' HG2' ' HE1' ' A' ' 18' ' ' TRP . 3.5 mpt_? -89.18 36.8 0.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 108.785 -179.665 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 122.99 17.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.316 -0.865 . . . . 0.0 111.494 -178.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.32 -22.64 6.03 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.363 -0.836 . . . . 0.0 112.152 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -68.57 113.64 6.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.566 -1.55 . . . . 0.0 110.754 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -119.22 141.14 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.522 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 46.2 t -63.62 119.19 9.39 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.774 -1.204 . . . . 0.0 110.505 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -59.98 -40.02 87.69 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.706 -0.621 . . . . 0.0 110.399 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' HG11 ' A' ' 27' ' ' VAL . 15.9 m120 -74.67 -39.8 61.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.849 -1.157 . . . . 0.0 112.148 -177.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.9 p -130.1 9.47 5.28 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.638 -1.289 . . . . 0.0 112.355 -178.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 18.2 tt0 61.66 0.03 0.45 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.573 -1.329 . . . . 0.0 112.498 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -61.25 142.35 56.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 119.756 -1.84 . . . . 0.0 108.739 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -105.11 -8.6 18.33 Favored 'General case' 0 N--CA 1.508 2.449 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.0 p -100.78 121.18 41.25 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -147.16 150.85 35.76 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.069 -1.019 . . . . 0.0 109.974 -179.08 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 HG21 " H2'" ' C' ' 124' ' ' ' DA' . 71.8 p -77.43 -39.07 48.16 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 177.545 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.8 tp -146.7 131.59 18.1 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.45 -0.782 . . . . 0.0 108.983 178.476 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.577 ' HE1' ' HG2' ' A' ' 2' ' ' ARG . 78.1 m95 -80.3 129.47 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.757 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.5 mmt180 -115.25 119.11 35.23 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.053 -1.029 . . . . 0.0 109.334 -179.214 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.26 141.08 55.99 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.065 -1.647 . . . . 0.0 106.648 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.66 156.19 45.22 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.0 -1.063 . . . . 0.0 109.262 -179.351 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.01 -22.15 7.32 Favored 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 120.766 0.977 . . . . 0.0 112.637 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmt -91.43 -10.61 40.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.106 -0.996 . . . . 0.0 110.06 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.21 30.74 10.52 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -110.11 112.16 57.73 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.399 -1.059 . . . . 0.0 109.451 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.92 133.28 39.83 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 CA-C-N 120.093 1.069 . . . . 0.0 113.303 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' ARG . 8.1 m -136.42 160.16 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.419 0 O-C-N 121.681 -0.637 . . . . 0.0 109.483 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.71 155.75 24.14 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.945 -1.097 . . . . 0.0 109.6 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.757 ' ND2' HH21 ' A' ' 19' ' ' ARG . 30.2 t-20 -45.44 -41.82 9.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.589 -0.694 . . . . 0.0 111.425 -178.391 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.43 29.32 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.824 -1.173 . . . . 0.0 110.927 -178.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -58.49 -43.31 88.96 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.804 -1.185 . . . . 0.0 109.954 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.06 20.4 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.339 -1.41 . . . . 0.0 110.07 -178.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.53 -50.37 71.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.512 -0.993 . . . . 0.0 111.336 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.428 ' CE1' ' OP1' ' C' ' 122' ' ' ' DT' . 50.0 t80 -60.75 -43.53 97.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.775 -1.203 . . . . 0.0 109.871 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.2 t80 -61.69 -48.85 78.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.139 -0.976 . . . . 0.0 109.538 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -43.31 95.1 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 120.015 -1.678 . . . . 0.0 110.108 -179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.78 -42.02 70.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.981 -1.074 . . . . 0.0 111.553 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.696 ' CE1' ' OP2' ' C' ' 122' ' ' ' DT' . 24.4 m80 -112.96 -13.81 13.08 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.978 -1.076 . . . . 0.0 111.847 -177.803 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' TYR . 40.2 tt0 44.72 58.34 3.99 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.532 -1.355 . . . . 0.0 111.715 179.15 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.69 149.81 13.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.77 137.75 32.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.308 -0.87 . . . . 0.0 108.796 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -120.54 151.3 53.81 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -178.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.0 Cg_endo -62.45 152.86 74.71 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 121.472 1.448 . . . . 0.0 113.66 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 HH11 ' A' ' 47' ' ' ARG . 11.0 mp -65.0 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.519 -0.738 . . . . 0.0 111.096 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.2 t -69.91 -17.42 63.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.884 -1.135 . . . . 0.0 109.298 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -100.15 -2.3 34.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.17 -0.956 . . . . 0.0 109.499 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.574 HH11 HD23 ' A' ' 44' ' ' LEU . 73.5 ttt180 -77.69 129.57 35.7 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.427 -0.795 . . . . 0.0 110.404 -179.063 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -130.5 155.49 46.39 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.67 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.82 -1.175 . . . . 0.0 110.794 -178.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.13 -171.82 35.9 Favored Glycine 0 N--CA 1.497 2.722 0 O-C-N 120.934 -1.104 . . . . 0.0 111.164 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.98 146.13 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.546 -0.973 . . . . 0.0 109.346 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.4 155.7 27.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.512 -0.742 . . . . 0.0 109.225 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.19 158.52 44.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 109.706 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 54' ' ' ARG . 3.2 tpm_? -149.93 155.63 40.32 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -55.42 138.38 46.15 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.044 -1.035 . . . . 0.0 108.48 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.92 129.49 41.18 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.306 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.1 -171.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.834 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.66 135.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -78.61 121.05 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -132.71 142.41 49.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.412 -0.805 . . . . 0.0 109.76 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -129.03 137.85 51.56 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.61 81.71 1.56 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -68.0 -37.52 81.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -1.178 . . . . 0.0 110.121 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -157.07 -39.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.833 -1.167 . . . . 0.0 111.262 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -109.79 126.06 53.38 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.152 -0.968 . . . . 0.0 109.54 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.372 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C1'-N19 110.828 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.866 3.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C1'-N19 111.306 4.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.53 ' OP2' ' NE ' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.28 1 O4'-C1'-N19 111.223 4.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.83 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.049 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.574 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 2.025 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.475 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.073 1 O4'-C1'-N19 111.576 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 111.14 4.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.456 2.773 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.799 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 112.196 5.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O4'-C1'-N19 110.07 2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.548 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.55 1 O4'-C1'-N19 111.025 4.031 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.108 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.775 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.992 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.588 1 O4'-C1'-N19 111.611 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.018 1 O4'-C1'-N19 111.906 5.132 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.56 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 112.247 5.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.626 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.458 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 C5'--C4' 1.531 2.483 1 O4'-C1'-N19 111.322 4.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.401 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.489 1 O4'-C1'-N19 111.269 4.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.498 ' C4 ' ' N4 ' ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.245 1 O4'-C1'-N19 113.118 6.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.498 ' N4 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.207 0 C3'-C2'-C1' 107.304 3.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.445 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 C3'-C2'-C1' 107.045 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . 0.474 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.141 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . 0.474 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' A' ' 5' ' ' THR . 51.7 tttp . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' NE ' ' OP2' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -99.85 -0.57 39.41 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.336 -0.852 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.73 113.77 14.75 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.916 -1.115 . . . . 0.0 109.983 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -10.13 51.69 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 8.2 m -66.19 118.53 10.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.913 -1.345 . . . . 0.0 110.095 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -119.13 137.75 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.1 119.42 7.8 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.664 -1.273 . . . . 0.0 110.063 -179.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -59.96 -40.03 87.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.726 -0.609 . . . . 0.0 110.289 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.401 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.5 m-20 -76.76 -39.48 51.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 113.142 -177.254 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.53 11.28 5.76 Favored 'General case' 0 N--CA 1.509 2.499 0 CA-C-N 120.357 1.435 . . . . 0.0 111.881 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 59.76 0.41 0.24 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 112.987 177.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -60.34 142.25 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.032 -1.668 . . . . 0.0 107.961 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -106.12 -9.16 17.09 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -99.34 119.69 38.36 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.168 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.446 HG21 ' CH2' ' A' ' 18' ' ' TRP . 5.8 p -143.75 146.35 33.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 109.488 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.438 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 4.4 p -77.35 -40.61 43.41 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.4 tp -144.46 128.31 17.36 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.679 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 15' ' ' THR . 88.5 m95 -79.81 130.57 35.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.776 -1.203 . . . . 0.0 109.552 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -115.34 119.16 35.35 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.171 -0.955 . . . . 0.0 109.891 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.46 141.94 53.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 119.881 -1.762 . . . . 0.0 106.733 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 159.17 38.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 -178.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.59 -23.7 15.53 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.678 1.585 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.14 -11.75 29.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.264 -0.898 . . . . 0.0 109.111 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.73 32.92 7.73 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -109.89 110.92 58.91 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.126 -1.22 . . . . 0.0 109.385 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.23 130.28 24.2 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 120.766 0.977 . . . . 0.0 113.663 -179.251 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.6 m -134.57 161.19 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.757 -0.589 . . . . 0.0 109.672 178.511 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.89 157.83 22.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.892 -1.13 . . . . 0.0 110.372 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.672 ' ND2' HH21 ' A' ' 19' ' ' ARG . 40.9 t-20 -48.56 -33.98 10.63 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.38 -0.825 . . . . 0.0 111.762 -177.628 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.42 -52.04 15.13 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.391 -1.443 . . . . 0.0 111.013 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.3 m -57.06 -46.24 82.61 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.75 -50.1 55.46 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.465 -1.35 . . . . 0.0 110.557 -177.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -70.04 -47.99 59.75 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.214 -1.168 . . . . 0.0 110.781 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.14 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.726 -1.234 . . . . 0.0 109.446 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.3 t80 -64.99 -46.91 79.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.516 0.674 . . . . 0.0 111.102 -178.604 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -58.79 -43.33 90.47 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.109 -1.619 . . . . 0.0 111.157 -178.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.97 -40.43 75.37 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.913 -1.117 . . . . 0.0 111.819 -178.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.626 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 60.4 m-70 -117.8 3.96 12.24 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.032 -1.043 . . . . 0.0 111.843 -177.551 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.631 ' N ' ' O ' ' A' ' 35' ' ' TYR . 20.3 pt20 32.27 43.54 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.936 -1.102 . . . . 0.0 113.227 178.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.0 m -139.55 154.57 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 108.815 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -85.31 150.16 24.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.778 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.16 150.27 73.72 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 120.953 -1.092 . . . . 0.0 109.892 -178.941 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' THR . 17.3 Cg_exo -46.47 153.14 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.092 1.195 . . . . 0.0 113.702 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' HE ' ' A' ' 47' ' ' ARG . 11.1 mp -75.79 31.78 0.11 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.515 -0.741 . . . . 0.0 109.376 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' PRO . 11.5 t -66.84 -12.43 59.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.0 110.201 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.458 ' SD ' ' OP1' ' C' ' 123' ' ' ' DT' . 42.7 mtt -99.31 -17.6 17.97 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.965 -1.084 . . . . 0.0 110.271 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.49 HH22 ' NE ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -81.19 129.28 34.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.079 -1.013 . . . . 0.0 111.312 -178.371 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 17.4 tptp -130.36 -140.24 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' LYS . 21.8 m-20 -93.34 -87.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.103 -0.998 . . . . 0.0 109.068 179.011 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.36 -166.67 29.83 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.94 136.8 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.486 -1.008 . . . . 0.0 110.237 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -72.72 150.01 43.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 158.07 45.12 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.559 -1.338 . . . . 0.0 110.68 -179.075 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -145.57 162.5 37.3 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.878 0.847 . . . . 0.0 110.125 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.36 141.36 56.37 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.546 0.689 . . . . 0.0 110.467 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -66.96 130.43 43.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.021 179.808 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HD2' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -54.78 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.794 . . . . 0.0 109.694 179.037 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.3 m -59.78 141.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.1 p -69.98 149.97 47.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.783 -1.198 . . . . 0.0 109.744 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.6 t -147.92 139.62 23.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.451 -0.781 . . . . 0.0 109.629 -179.299 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -171.55 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.2 -31.07 79.45 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.091 -1.603 . . . . 0.0 109.091 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -60.0 138.26 57.89 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.439 -1.036 . . . . 0.0 109.316 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -141.22 157.53 45.12 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.93 153.28 48.51 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.515 -0.741 . . . . 0.0 109.473 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 66' ' ' ARG . 24.4 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.216 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.428 " H2'" ' H71' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.305 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.428 ' H71' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.983 0 O4'-C1'-N19 110.211 3.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.602 4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.111 4.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.777 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.374 0 O4'-C1'-N19 110.743 3.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.602 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.443 1.804 1 O4'-C1'-N19 112.271 5.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.034 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.368 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . 0.447 ' N6 ' ' O4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.101 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.201 1 O4'-C1'-N19 111.742 4.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.414 " H5'" HH21 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.507 0 C3'-C2'-C1' 107.06 3.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 111.325 4.407 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.469 4.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.441 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.608 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.41 ' C8 ' ' H71' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 112.282 5.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.528 1 O4'-C1'-N19 112.861 6.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.537 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 2.042 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.428 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.26 1 O4'-C1'-N19 111.092 4.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.546 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.408 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 ' C4 ' ' C5 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.749 1 O4'-C1'-N19 112.122 5.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.728 ' P ' ' HE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.725 0 C3'-C2'-C1' 106.913 3.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . 0.483 ' P ' ' OG ' ' A' ' 60' ' ' SER . . . . . . . . 0 C5'--C4' 1.534 2.869 1 O4'-C1'-N19 111.798 4.998 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.538 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 O4'-C1'-N19 110.961 3.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.522 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' O ' ' OG1' ' A' ' 5' ' ' THR . 66.4 mttm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.597 HH11 ' HE1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -60.2 -41.97 94.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.449 -0.782 . . . . 0.0 111.588 -177.968 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.68 113.34 1.27 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.061 -1.024 . . . . 0.0 111.378 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -4.54 83.29 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.333 -0.854 . . . . 0.0 111.356 178.16 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 5.2 m -67.42 119.2 11.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.921 -1.34 . . . . 0.0 111.384 -178.368 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 m -121.05 141.57 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -63.68 119.66 10.32 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.51 -1.369 . . . . 0.0 110.93 -178.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -60.02 -39.17 84.92 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.809 -0.557 . . . . 0.0 109.735 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' OD1' HG11 ' A' ' 27' ' ' VAL . 11.6 m120 -76.63 -39.35 52.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.951 -1.093 . . . . 0.0 112.257 -178.088 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 p -130.18 13.34 5.64 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 120.278 1.399 . . . . 0.0 112.519 -178.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.7 mp0 56.92 2.07 0.1 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.879 -1.138 . . . . 0.0 113.71 176.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -61.72 158.63 15.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 119.999 -1.688 . . . . 0.0 107.837 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 p -135.54 16.22 3.39 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 120.901 -1.125 . . . . 0.0 109.011 178.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.5 p -117.33 48.96 1.25 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.463 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -80.06 150.62 30.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.053 -1.03 . . . . 0.0 111.143 -176.629 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.47 HG22 HG21 ' A' ' 51' ' ' ILE . 41.5 p -79.96 -34.84 38.37 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 177.448 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.777 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 3.9 tp -142.91 130.44 21.23 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.597 ' HE1' HH11 ' A' ' 2' ' ' ARG . 54.3 m95 -83.11 126.95 33.14 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.985 -1.072 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.758 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.5 mmt-85 -115.62 125.88 53.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.78 -179.293 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -79.23 143.61 35.15 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 155.26 44.04 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 120.969 -1.082 . . . . 0.0 109.888 -178.717 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -48.91 -25.05 8.04 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.209 1.273 . . . . 0.0 113.089 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mtp -90.89 -12.63 35.58 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.193 -0.942 . . . . 0.0 109.641 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.91 24.16 13.74 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.88 114.44 65.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.277 -1.131 . . . . 0.0 109.093 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -49.35 131.4 27.16 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 CA-C-N 120.125 1.08 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.497 HG11 ' OD1' ' A' ' 9' ' ' ASN . 5.4 m -138.28 159.28 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.24 -0.913 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.62 154.72 26.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -49.67 -35.94 23.27 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.12 -0.987 . . . . 0.0 110.287 -177.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -58.82 5.16 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.146 -0.971 . . . . 0.0 110.913 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.8 m -55.09 -42.84 73.36 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.773 -1.204 . . . . 0.0 109.777 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.76 -44.27 91.74 Favored Glycine 0 C--N 1.29 -2.0 0 C-N-CA 118.991 -1.576 . . . . 0.0 109.852 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -72.03 -53.26 13.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -1.174 . . . . 0.0 110.579 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.94 -46.62 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.991 -1.068 . . . . 0.0 109.629 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.0 t80 -60.02 -44.18 94.78 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 109.739 -178.81 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.05 -43.47 95.35 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.292 -1.505 . . . . 0.0 109.386 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -72.28 -41.74 66.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 111.928 -179.282 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' NE2' ' OP2' ' C' ' 122' ' ' ' DT' . 64.0 m-70 -113.6 -8.55 13.3 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.887 -1.133 . . . . 0.0 112.202 -176.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.623 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.4 pt20 38.53 50.3 1.53 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.563 -1.336 . . . . 0.0 112.847 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -142.51 150.41 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 31.4 p-10 -86.44 134.78 33.67 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.119 -0.988 . . . . 0.0 109.541 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HG3' HH11 ' A' ' 42' ' ' ARG . 11.5 mmm-85 -111.42 151.49 43.28 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.254 -0.904 . . . . 0.0 108.93 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.1 Cg_endo -60.7 153.61 60.92 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 121.67 1.58 . . . . 0.0 113.593 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.0 mp -61.65 7.06 0.05 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 110.107 179.5 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 43' ' ' PRO . 24.2 p -63.75 -12.29 33.8 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.94 -1.1 . . . . 0.0 108.793 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -10.48 26.87 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.983 0.896 . . . . 0.0 108.594 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.53 129.11 36.7 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.506 0.67 . . . . 0.0 109.956 -178.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -123.72 137.96 54.61 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -43.5 -87.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 110.546 -178.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.6 -177.42 27.44 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -92.78 146.21 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.332 -1.099 . . . . 0.0 110.161 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -81.31 148.28 29.48 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.02 166.91 22.91 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.696 -1.252 . . . . 0.0 109.815 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' HB2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.84 161.42 42.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.409 -0.807 . . . . 0.0 110.668 -178.524 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.68 139.94 52.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.818 . . . . 0.0 109.078 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.728 ' HE ' ' P ' ' C' ' 126' ' ' ' DC' . 5.4 mmt-85 -65.85 132.89 49.76 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 110.927 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -77.26 159.95 29.24 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 60' ' ' SER . 2.9 p -65.22 -2.72 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.211 -0.931 . . . . 0.0 110.04 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -51.94 -2.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.439 -0.788 . . . . 0.0 110.657 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 58' ' ' VAL . 6.9 t -141.64 79.66 1.69 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.044 -1.035 . . . . 0.0 110.61 -179.422 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -153.63 159.38 42.08 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 178.483 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.35 71.27 0.34 Allowed Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.026 -1.279 . . . . 0.0 109.341 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.95 -6.68 11.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.69 -0.631 . . . . 0.0 110.123 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.529 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.64 140.01 51.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.937 . . . . 0.0 109.577 -179.853 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.197 179.911 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.598 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.458 0 O4'-C1'-N19 110.999 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.737 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.522 ' P ' HH21 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.851 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.337 0 O4'-C1'-N19 110.277 3.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.61 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.072 1 O4'-C1'-N19 112.425 5.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.551 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.247 4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.97 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 2.66 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.528 3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.712 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.731 0 C4'-C3'-C2' 106.157 2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.564 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.86 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . 0.419 ' H72' " H2'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.691 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.4 0 O4'-C1'-N19 110.566 3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.564 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 111.482 4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.399 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.552 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.305 1 O4'-C1'-N19 112.02 5.275 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.552 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.928 5.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.542 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 O4'--C1' 1.442 1.691 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.472 ' OP1' ' NH2' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.45 2.317 1 O4'-C1'-N19 111.473 4.592 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.514 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.514 ' C4 ' ' C5 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.65 4.812 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.352 0 C3'-C2'-C1' 107.391 3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.364 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.459 0 O4'-C1'-N19 110.77 3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.759 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.4 tptp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.522 HH21 ' P ' ' B' ' 105' ' ' ' DC' . 13.8 mmt180 -90.92 -27.54 18.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.376 -0.827 . . . . 0.0 109.69 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.27 120.06 5.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.365 -0.834 . . . . 0.0 110.884 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.64 -10.03 60.63 Favored Glycine 0 N--CA 1.495 2.597 0 C-N-CA 120.327 -0.939 . . . . 0.0 110.991 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -69.74 111.83 5.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.724 -1.456 . . . . 0.0 110.078 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.88 140.48 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.3 t -59.94 118.14 5.89 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.554 -1.341 . . . . 0.0 109.545 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -59.93 -39.97 87.32 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.618 -0.676 . . . . 0.0 109.699 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -75.2 -38.59 60.7 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.937 -1.102 . . . . 0.0 111.495 -178.336 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.634 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.6 p -131.74 17.63 4.73 Favored 'General case' 0 N--CA 1.511 2.622 0 CA-C-N 120.266 1.394 . . . . 0.0 113.133 -178.513 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 7' ' ' CYS . 7.2 tp-100 54.47 -4.01 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.522 -1.361 . . . . 0.0 113.381 176.48 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' CYS . 12.6 t -57.0 140.02 50.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 119.428 -2.045 . . . . 0.0 108.561 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.1 p -104.03 -9.23 18.97 Favored 'General case' 0 N--CA 1.512 2.67 0 O-C-N 121.091 -1.006 . . . . 0.0 108.439 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -102.99 122.61 44.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 p -146.52 148.93 32.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.228 -0.92 . . . . 0.0 109.412 -179.436 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 7.0 p -72.12 -40.42 68.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 178.185 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.851 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.6 tp -145.5 131.72 19.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -78.35 128.37 33.57 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.025 -1.047 . . . . 0.0 108.955 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH1' HD23 ' A' ' 17' ' ' LEU . 3.6 mmt-85 -112.46 -179.53 3.69 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.578 0.704 . . . . 0.0 109.272 179.292 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -130.54 140.53 50.48 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.389 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.35 159.97 38.07 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.96 -20.27 17.72 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.368 1.379 . . . . 0.0 112.618 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -8.95 51.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.052 -1.03 . . . . 0.0 109.923 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 27.23 19.22 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.04 118.46 59.18 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.67 -0.9 . . . . 0.0 109.93 -179.246 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -51.81 132.64 42.62 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 119.967 1.024 . . . . 0.0 111.886 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.58 159.95 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.339 -0.85 . . . . 0.0 110.813 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.62 153.27 25.52 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -47.6 -37.68 12.99 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.086 -1.009 . . . . 0.0 112.378 -176.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.19 -50.18 61.9 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.493 -1.379 . . . . 0.0 111.489 -178.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.1 m -58.84 -42.83 90.21 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.572 -1.33 . . . . 0.0 111.179 -178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.39 -46.97 91.28 Favored Glycine 0 C--N 1.29 -1.992 0 C-N-CA 119.055 -1.545 . . . . 0.0 110.363 -177.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -69.13 -51.96 33.08 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.341 -1.093 . . . . 0.0 110.238 -179.355 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -60.02 -44.49 94.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.568 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.67 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.1 t80 -64.1 -47.72 78.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.257 -0.902 . . . . 0.0 109.731 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -60.06 -40.83 90.81 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.118 -1.614 . . . . 0.0 110.638 -179.165 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.14 -40.0 75.04 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.731 -1.231 . . . . 0.0 111.419 -179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.542 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.1 m-70 -116.51 -4.61 11.74 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.977 -1.077 . . . . 0.0 112.01 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.67 ' N ' ' O ' ' A' ' 35' ' ' TYR . 60.1 tt0 39.74 51.19 2.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.595 -1.315 . . . . 0.0 111.666 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -147.83 154.58 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.246 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -86.06 138.8 31.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 109.29 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 11.8 ptt180 -119.0 150.1 48.06 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 121.142 -0.974 . . . . 0.0 109.551 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.7 148.24 66.42 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 120.917 1.078 . . . . 0.0 112.719 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -69.93 -19.81 63.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.529 -0.732 . . . . 0.0 110.969 -179.248 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 81.4 p -44.15 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.366 -0.834 . . . . 0.0 110.136 -178.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.541 ' N ' ' O ' ' A' ' 44' ' ' LEU . 25.3 ttt -80.27 -39.16 29.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.993 -1.067 . . . . 0.0 110.937 -179.178 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.634 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -76.24 164.46 26.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.331 -0.856 . . . . 0.0 110.28 -179.157 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -134.16 159.5 40.68 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.05 -83.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.278 -0.889 . . . . 0.0 110.993 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.67 -173.99 11.77 Favored Glycine 0 N--CA 1.497 2.744 0 O-C-N 120.92 -1.113 . . . . 0.0 110.672 -178.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.3 138.44 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.299 -1.118 . . . . 0.0 109.321 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -77.44 149.26 35.1 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -141.32 156.74 45.82 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.74 -1.225 . . . . 0.0 110.837 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -141.04 165.71 26.8 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.36 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -60.02 136.0 57.88 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -61.76 129.98 43.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 110.444 -178.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -60.93 -179.83 0.15 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.386 -0.821 . . . . 0.0 110.019 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.3 m -54.66 158.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.417 -0.802 . . . . 0.0 109.327 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.6 p -84.6 100.59 11.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.946 -1.096 . . . . 0.0 109.175 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -157.15 148.02 21.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 109.805 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -157.39 -58.64 0.08 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.208 -0.932 . . . . 0.0 108.518 179.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.5 -164.67 28.36 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -134.8 145.67 48.59 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.335 -1.097 . . . . 0.0 109.108 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -61.34 139.97 58.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.15 -0.969 . . . . 0.0 109.967 -179.178 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -148.17 150.23 33.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.469 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 1 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.753 3.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 0 C4'-C3'-C2' 106.212 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.858 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.656 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 1.975 1 O4'-C1'-N19 112.048 5.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.521 " H2'" ' H72' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.521 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.081 4.101 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.445 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.414 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.449 2.247 1 O4'-C1'-N19 112.268 5.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.861 0 C3'-C2'-C1' 107.187 3.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.565 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.733 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.397 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . 0.416 ' O2 ' ' H2 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.893 3.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.871 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.495 0 O4'-C1'-N19 110.426 3.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.565 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.403 ' N3 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.204 4.254 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.44 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.576 4.72 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.44 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.636 4.795 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.441 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.265 1 O4'-C1'-N19 111.477 4.597 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.334 1 O4'-C1'-N19 111.896 5.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.501 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.946 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.501 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.562 1 O4'-C1'-N19 111.629 4.786 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.814 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.506 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 O4'-C1'-N19 110.718 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -96.84 -3.06 42.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.518 -0.739 . . . . 0.0 109.539 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.43 114.72 11.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.458 -0.776 . . . . 0.0 110.417 -179.153 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -12.44 34.14 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.03 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -70.04 113.93 7.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.813 -1.404 . . . . 0.0 110.166 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.65 141.53 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.204 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.5 t -58.38 117.78 4.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.556 -1.34 . . . . 0.0 109.849 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -60.0 -38.49 82.79 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.679 -0.638 . . . . 0.0 109.847 179.718 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.6 m-20 -80.22 -37.94 32.06 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.965 -1.085 . . . . 0.0 112.058 -177.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -129.05 16.36 6.21 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 120.638 1.563 . . . . 0.0 113.008 -178.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 59.04 -4.16 0.08 Allowed 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 175.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -58.8 150.96 22.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 119.21 -2.181 . . . . 0.0 109.062 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -130.12 18.79 5.46 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 120.988 -1.07 . . . . 0.0 108.52 178.477 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.2 p -123.86 48.9 1.81 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' HG23 ' A' ' 15' ' ' THR . 3.2 p -78.28 153.04 32.16 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.195 -0.941 . . . . 0.0 111.353 -176.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.3 p -77.41 -39.81 45.76 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.858 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 6.7 tp -142.16 132.56 25.09 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.238 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.4 m95 -80.44 128.34 33.47 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.142 -179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.533 ' NH1' HD23 ' A' ' 17' ' ' LEU . 4.3 mmt-85 -116.95 130.95 57.03 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.706 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.8 mmt-85 -83.48 146.18 28.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.382 -1.449 . . . . 0.0 107.121 178.403 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 159.89 36.84 Favored Pre-proline 0 N--CA 1.504 2.256 0 O-C-N 120.829 -1.17 . . . . 0.0 109.907 -179.428 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.53 -23.86 8.32 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.341 1.361 . . . . 0.0 112.82 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.5 mtt -91.07 -9.16 46.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.127 -0.983 . . . . 0.0 109.849 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.27 24.84 25.58 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -179.223 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.77 117.24 62.08 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.41 -1.053 . . . . 0.0 109.46 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -50.13 126.25 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.261 1.129 . . . . 0.0 113.055 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.7 m -131.07 159.34 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 O-C-N 121.445 -0.784 . . . . 0.0 109.734 178.389 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -82.37 153.45 25.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.946 . . . . 0.0 109.527 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -49.98 -29.98 9.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -0.871 . . . . 0.0 111.293 -177.191 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -53.41 12.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.701 -1.249 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.43 -42.57 87.55 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.644 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.86 -48.61 65.8 Favored Glycine 0 C--N 1.292 -1.902 0 C-N-CA 118.837 -1.649 . . . . 0.0 109.734 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.01 -52.44 24.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.212 -1.169 . . . . 0.0 110.918 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 32.3 t80 -60.01 -44.04 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.774 -1.204 . . . . 0.0 109.671 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.4 t80 -61.87 -46.35 89.79 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 -179.038 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.94 -42.1 93.28 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 119.988 -1.695 . . . . 0.0 110.307 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.29 -43.35 67.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.926 -1.108 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 78.8 m-70 -111.77 -3.22 15.03 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.05 -1.031 . . . . 0.0 112.165 -177.785 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.8 pt20 37.78 44.88 0.61 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.427 -1.421 . . . . 0.0 112.998 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.76 157.15 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 14.5 p-10 -84.21 127.3 33.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.984 -1.073 . . . . 0.0 109.478 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -100.71 133.33 21.26 Favored Pre-proline 0 N--CA 1.498 1.968 0 O-C-N 121.182 -0.949 . . . . 0.0 110.275 -178.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.2 Cg_exo -51.02 152.11 10.79 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 119.923 1.008 . . . . 0.0 112.667 179.18 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.91 15.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.424 -0.798 . . . . 0.0 110.05 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.2 p -50.04 -26.13 4.06 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 110.465 -178.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.5 ptm -107.82 -2.9 19.52 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.033 -1.042 . . . . 0.0 110.923 -178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.28 148.06 28.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.27 172.3 15.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.909 . . . . 0.0 109.524 179.75 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.82 -76.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.167 -0.958 . . . . 0.0 111.572 -177.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.55 171.59 37.01 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.2 mt -92.57 146.33 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.52 -0.988 . . . . 0.0 109.627 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.14 147.05 30.24 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.166 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.8 159.46 41.28 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.104 -0.997 . . . . 0.0 109.093 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.5 163.7 37.79 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.586 -0.697 . . . . 0.0 109.836 -178.813 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.39 138.25 57.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.405 -0.809 . . . . 0.0 109.602 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.56 132.39 49.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.499 -0.75 . . . . 0.0 109.94 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -68.27 -172.41 0.32 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.24 144.73 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.505 -0.747 . . . . 0.0 109.976 -179.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 p -82.88 99.27 9.64 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -103.36 120.56 41.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.472 -0.767 . . . . 0.0 109.754 -178.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -127.86 -9.43 5.49 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.544 -0.723 . . . . 0.0 109.413 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.03 149.57 39.58 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.738 -1.226 . . . . 0.0 110.163 -179.477 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.06 -50.23 74.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -1.128 . . . . 0.0 109.132 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -151.69 -91.17 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 108.864 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -146.6 150.63 35.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.93 . . . . 0.0 109.515 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.132 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.523 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.405 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.093 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.405 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.374 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.557 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.402 0 C3'-C2'-C1' 107.105 3.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.612 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 112.319 5.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.544 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.484 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.307 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.552 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.199 4.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.489 " O4'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 112.026 5.282 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.723 0 C3'-C2'-C1' 106.951 3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.255 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.839 5.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.208 4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.694 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.383 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.523 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.227 4.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.523 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.735 4.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.435 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.233 4.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.516 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.496 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.453 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.53 1 O4'-C1'-N19 111.26 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.474 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.299 4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.48 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.251 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.188 2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.044 4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 5' ' ' THR . 5.5 tmm_? -63.58 -40.47 97.04 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.18 122.68 5.46 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.554 -0.716 . . . . 0.0 111.383 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 -10.39 64.67 Favored Glycine 0 N--CA 1.496 2.669 0 O-C-N 121.203 -0.936 . . . . 0.0 110.976 178.211 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 2' ' ' ARG . 4.0 m -67.54 117.61 9.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.311 . . . . 0.0 110.199 -179.084 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.49 140.93 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.7 t -62.75 118.57 7.88 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.563 -1.335 . . . . 0.0 109.879 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 m -61.66 -40.01 93.42 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.465 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.46 -39.57 58.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.134 -178.116 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -128.66 8.13 5.8 Favored 'General case' 0 N--CA 1.512 2.659 0 CA-C-N 120.32 1.418 . . . . 0.0 112.762 -178.063 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' CYS . 41.6 tt0 63.63 -1.28 0.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.561 -1.337 . . . . 0.0 113.544 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -61.48 143.99 54.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.549 -1.969 . . . . 0.0 108.651 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.7 p -108.42 -5.84 16.47 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -101.85 119.54 38.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.222 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.445 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.2 p -146.44 150.61 35.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.056 -1.028 . . . . 0.0 110.235 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -78.66 -38.98 38.16 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.612 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.4 tp -143.75 131.41 21.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.038 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ3' HG21 ' A' ' 15' ' ' THR . 60.1 m95 -81.75 128.85 34.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.889 -1.132 . . . . 0.0 109.014 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.779 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.4 mmt180 -111.62 178.33 4.36 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.266 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -130.83 140.11 50.22 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 159.4 39.33 Favored Pre-proline 0 N--CA 1.502 2.146 0 O-C-N 120.753 -1.217 . . . . 0.0 109.449 -179.4 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.0 -20.29 6.96 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.654 1.569 . . . . 0.0 113.633 -179.082 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -96.48 -5.92 38.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.839 -1.163 . . . . 0.0 109.885 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.44 17.04 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.32 114.92 65.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.22 -1.165 . . . . 0.0 109.911 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -49.88 134.84 35.63 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 CA-C-N 120.036 1.049 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.597 HG23 ' HB2' ' A' ' 19' ' ' ARG . 3.5 m -140.07 158.01 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -83.16 160.09 21.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.919 -1.113 . . . . 0.0 110.675 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.779 ' ND2' HH21 ' A' ' 19' ' ' ARG . 48.2 t-20 -44.48 -49.99 9.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.858 -0.526 . . . . 0.0 111.829 -178.433 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.75 70.14 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -59.97 -41.18 91.39 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.6 -1.313 . . . . 0.0 110.136 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.17 65.59 Favored Glycine 0 N--CA 1.487 2.054 0 C-N-CA 118.944 -1.598 . . . . 0.0 109.888 -178.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.41 -48.94 68.44 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 109.859 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -60.06 -43.0 95.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.338 -179.649 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -67.26 -49.1 65.69 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.532 -0.73 . . . . 0.0 109.797 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.98 -40.41 89.01 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.21 -1.556 . . . . 0.0 109.982 -179.525 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.11 -40.38 71.52 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 111.483 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 89.4 m-70 -118.59 3.84 11.72 Favored 'General case' 0 N--CA 1.512 2.632 0 O-C-N 120.868 -1.145 . . . . 0.0 112.049 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 15.9 pt20 35.05 40.12 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.724 -1.235 . . . . 0.0 113.552 179.314 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.12 155.09 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.132 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 28.8 p-10 -81.95 128.07 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.101 -1.0 . . . . 0.0 110.468 -178.571 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' NH1' ' OP1' ' C' ' 123' ' ' ' DT' . 16.3 ptt180 -89.48 150.99 45.54 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.347 -0.846 . . . . 0.0 109.771 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 45' ' ' THR . 18.8 Cg_endo -68.25 149.9 76.19 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 120.677 0.918 . . . . 0.0 111.024 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.65 5.78 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.861 -1.149 . . . . 0.0 110.611 -179.237 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 43' ' ' PRO . 5.0 t -60.83 -14.93 24.94 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.678 -1.264 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 71.5 mmm -99.83 -5.79 27.93 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.277 -0.89 . . . . 0.0 109.666 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 47' ' ' ARG . 40.5 ttt-85 -80.25 127.21 32.08 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 110.262 -178.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 43.6 mmtm -122.38 140.34 52.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.308 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' LYS . 26.2 t70 -41.21 -87.01 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.18 -0.95 . . . . 0.0 110.655 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.97 -173.9 25.65 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.22 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.33 138.65 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 121.296 -1.12 . . . . 0.0 108.944 178.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -74.98 150.59 38.96 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.32 47.13 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.802 -1.186 . . . . 0.0 109.77 -179.474 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' NH2' " O4'" ' B' ' 112' ' ' ' DA' . 12.8 mtp180 -150.21 167.0 28.18 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.16 143.69 32.32 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.931 0.872 . . . . 0.0 109.998 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 56' ' ' ARG . 17.1 mmt-85 -62.41 125.61 24.51 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.464 0.649 . . . . 0.0 112.223 -177.787 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 29.6 ttpt -49.19 169.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 61.2 t -54.07 140.02 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.88 -1.137 . . . . 0.0 109.263 -179.419 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.3 p -79.18 57.05 2.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.019 -1.05 . . . . 0.0 109.088 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.0 m -66.43 135.39 54.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.417 -0.802 . . . . 0.0 109.987 -179.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HD3' ' H ' ' A' ' 62' ' ' GLY . 4.9 tmtt? -150.92 143.42 24.33 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.536 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' H ' ' HD3' ' A' ' 61' ' ' LYS . . . -72.96 -170.35 17.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.603 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -147.72 160.38 42.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.041 -1.27 . . . . 0.0 110.468 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -124.91 145.23 49.93 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -69.94 141.34 53.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.096 -1.003 . . . . 0.0 108.786 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 120.679 -1.263 . . . . 0.0 109.239 179.585 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.124 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 1 O4'-C1'-N19 111.77 4.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 O4'-C1'-N19 111.849 5.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.869 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.231 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.555 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.163 1 O4'-C1'-N19 112.77 6.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.544 ' C2 ' ' N2 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.051 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.427 ' O4 ' ' N1 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.129 4.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.809 1 O4'-C1'-N19 111.911 5.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.429 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.921 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.529 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.194 0 O4'-C4'-C3' 108.725 3.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.523 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.035 1 O4'-C1'-N19 111.444 4.555 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 030 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.565 1 O4'-C1'-N19 111.746 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.685 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 0 O4'-C1'-N19 110.522 3.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.523 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.58 3.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.981 1 O4'-C1'-N19 111.829 5.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.429 ' O6 ' ' N6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.89 5.113 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.493 1 O4'-C1'-N19 111.396 4.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 1 O4'-C1'-N19 111.567 4.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.134 1 O4'-C1'-N19 111.212 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.427 ' N1 ' ' O4 ' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.643 0 O5'-C5'-C4' 114.529 3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.482 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.822 5.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.409 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.299 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.564 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.739 3.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.002 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.743 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 1 O4'-C1'-N19 111.253 4.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.3 pttt . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 121.758 0.789 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' NH1' ' CG ' ' A' ' 2' ' ' ARG . 5.1 mtt-85 -65.73 -40.15 91.87 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.093 -1.004 . . . . 0.0 108.932 178.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.94 118.56 2.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.867 -0.521 . . . . 0.0 111.424 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.92 -9.07 70.32 Favored Glycine 0 N--CA 1.506 3.338 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.23 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -63.16 120.47 11.55 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.753 -1.439 . . . . 0.0 110.077 -178.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.2 142.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.6 t -68.34 117.87 10.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.827 -1.17 . . . . 0.0 110.276 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -59.99 -40.34 88.86 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.285 -0.884 . . . . 0.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.575 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.79 -39.43 56.96 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.426 -1.421 . . . . 0.0 112.457 -178.239 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HH12 ' A' ' 42' ' ' ARG . 13.7 p -128.47 12.36 6.43 Favored 'General case' 0 N--CA 1.515 2.791 0 CA-C-N 120.739 1.608 . . . . 0.0 112.546 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.9 mt-30 57.05 2.99 0.12 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.512 -1.367 . . . . 0.0 114.225 176.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.529 ' CA ' ' HE ' ' A' ' 47' ' ' ARG . 11.9 t -64.65 147.29 53.27 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.346 -1.471 . . . . 0.0 107.823 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.5 p -107.68 -7.69 16.34 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.097 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 p -99.26 119.27 37.63 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.429 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.5 p -145.43 150.17 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.127 -0.983 . . . . 0.0 109.381 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.421 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 19.3 p -78.31 -40.51 36.53 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.205 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.869 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.5 tp -144.69 128.45 17.27 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.308 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.4 m95 -75.99 130.01 37.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.828 -1.17 . . . . 0.0 109.298 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.2 mmt-85 -117.88 127.17 53.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 -179.03 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 30.1 mmt-85 -77.82 142.46 38.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 119.778 -1.826 . . . . 0.0 106.948 178.236 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.91 156.23 44.56 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.154 -0.967 . . . . 0.0 108.46 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -51.0 -19.79 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 120.853 1.035 . . . . 0.0 113.005 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.0 tpt -92.03 -17.91 24.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 109.795 -179.103 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.43 26.58 8.6 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.92 111.71 60.55 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.51 -0.994 . . . . 0.0 108.689 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.75 129.18 20.12 Favored 'Trans proline' 0 N--CA 1.486 1.081 0 CA-C-N 119.867 0.988 . . . . 0.0 112.615 -179.174 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.3 m -130.5 158.74 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.093 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.56 155.55 25.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 46.5 t-20 -49.89 -35.73 24.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.142 -0.974 . . . . 0.0 111.439 -177.325 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.4 13.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.852 -1.155 . . . . 0.0 111.094 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -55.42 -40.35 71.36 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.44 -1.412 . . . . 0.0 110.635 -179.292 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.35 68.76 Favored Glycine 0 C--N 1.288 -2.111 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.765 -177.151 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.96 -51.43 58.6 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.2 -1.176 . . . . 0.0 110.956 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.57 -43.53 97.22 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.583 -1.323 . . . . 0.0 109.641 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.641 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.2 t80 -61.61 -44.3 97.25 Favored 'General case' 0 C--O 1.2 -1.541 0 CA-C-O 121.552 0.691 . . . . 0.0 109.522 -178.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HZ2' ' CD1' ' A' ' 37' ' ' LEU . 17.0 ttpp -60.1 -42.33 94.44 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.13 -1.607 . . . . 0.0 109.637 179.59 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.539 ' CD1' ' HZ2' ' A' ' 36' ' ' LYS . 8.2 mp -70.31 -45.59 65.96 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.026 -1.046 . . . . 0.0 111.512 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLN . 64.1 m80 -115.21 0.32 13.5 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 120.938 -1.102 . . . . 0.0 112.637 -177.282 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.7 pt20 35.63 49.23 0.51 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.599 -1.313 . . . . 0.0 112.633 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.05 154.07 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.999 -1.063 . . . . 0.0 108.212 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -84.46 125.86 32.74 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 109.06 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.42 150.32 42.6 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.472 -0.767 . . . . 0.0 110.354 -178.899 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -62.34 149.6 90.18 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.309 1.34 . . . . 0.0 112.858 179.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 46' ' ' MET . 15.1 mt -66.9 -8.36 28.64 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.326 -0.859 . . . . 0.0 109.809 -179.684 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -58.14 -9.96 1.69 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.742 -1.224 . . . . 0.0 108.086 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 44' ' ' LEU . 16.4 ttt -101.26 -8.86 21.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HE ' ' CA ' ' A' ' 12' ' ' THR . 34.3 ttt-85 -83.14 139.62 33.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.74 -179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -134.28 159.55 40.63 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -66.57 -73.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.034 -1.041 . . . . 0.0 111.017 -178.348 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.28 172.29 41.67 Favored Glycine 0 N--CA 1.496 2.635 0 C-N-CA 119.688 -1.244 . . . . 0.0 111.228 -178.507 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -91.96 140.8 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.564 -0.962 . . . . 0.0 109.164 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -80.26 152.13 29.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 109.281 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.5 159.77 41.03 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 122.296 1.046 . . . . 0.0 109.768 -179.568 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 3.4 mmp_? -141.01 172.94 11.98 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.764 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -62.06 136.51 57.98 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.022 -1.049 . . . . 0.0 108.241 179.263 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 56' ' ' ARG . 2.1 mmt-85 -59.76 128.08 35.15 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.882 0.848 . . . . 0.0 112.146 -177.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 24.8 ttpt -48.18 163.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.043 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 3.9 m -51.53 129.44 10.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.613 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -82.58 111.97 19.05 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.051 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -108.44 111.17 22.93 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.88 0.848 . . . . 0.0 109.147 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 60.3 mttp -142.43 155.67 45.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.639 -0.663 . . . . 0.0 109.308 -179.345 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.41 60.16 0.44 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 68.7 mttm -53.59 -89.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.112 -1.228 . . . . 0.0 110.605 -178.723 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -132.43 156.61 46.39 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.726 -0.609 . . . . 0.0 109.753 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -62.25 148.29 45.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.123 -0.986 . . . . 0.0 108.95 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 66' ' ' ARG . 13.6 mmt-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.698 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.786 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C1'-N19 110.409 3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.541 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.45 2.332 1 O4'-C1'-N19 112.504 5.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.476 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.149 1 O4'-C1'-N19 111.249 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.407 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.279 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.497 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.346 4.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.413 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.565 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.49 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.531 1 O4'-C1'-N19 111.735 4.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.033 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.854 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.49 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.567 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.437 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.874 5.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.757 1 O4'-C1'-N19 111.811 5.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.619 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.435 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.452 2.43 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.476 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.544 4.098 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 031 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.462 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 112.874 6.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.436 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.036 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.438 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.737 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.752 4.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.8 -1.43 37.64 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.418 -0.801 . . . . 0.0 109.219 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.87 116.64 16.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.027 -1.045 . . . . 0.0 111.179 -178.678 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 -11.26 48.31 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 178.807 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 111.71 8.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.032 -1.276 . . . . 0.0 111.24 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.32 140.15 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 120.0 9.27 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.637 -1.289 . . . . 0.0 110.054 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 m -60.02 -40.06 88.03 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.591 -0.693 . . . . 0.0 110.123 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' H ' HG12 ' A' ' 27' ' ' VAL . 99.6 m-20 -77.66 -38.91 46.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.851 -1.156 . . . . 0.0 112.515 -178.058 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 12' ' ' THR . 11.7 p -130.86 12.75 5.27 Favored 'General case' 0 N--CA 1.514 2.767 0 CA-C-N 120.528 1.513 . . . . 0.0 112.804 -178.045 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 58.81 0.03 0.14 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.827 -1.171 . . . . 0.0 113.924 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.3 t -60.49 144.31 51.56 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 119.742 -1.849 . . . . 0.0 108.325 179.314 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -106.64 -8.86 16.75 Favored 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -99.9 119.98 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.068 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.475 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.2 p -144.01 147.38 33.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 109.222 -179.387 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 p -77.01 -39.66 49.47 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.495 -1.282 . . . . 0.0 107.692 178.657 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.876 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.7 tp -141.53 130.36 23.0 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.132 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CZ3' HG21 ' A' ' 15' ' ' THR . 54.2 m95 -79.8 130.29 35.2 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.669 -1.269 . . . . 0.0 109.574 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.876 ' NH1' HD23 ' A' ' 17' ' ' LEU . 23.7 mmt180 -112.86 177.5 4.61 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.735 . . . . 0.0 109.715 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -130.74 140.94 50.36 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 158.68 37.04 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.27 -0.894 . . . . 0.0 109.895 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -53.52 -16.88 8.4 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.228 1.285 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.7 ttm -93.79 -15.06 25.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.245 -0.91 . . . . 0.0 109.556 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 28.98 9.1 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -107.63 114.18 60.74 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.992 . . . . 0.0 109.122 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.95 141.84 16.27 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.08 1.064 . . . . 0.0 112.979 -179.768 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.3 m -144.1 159.28 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.24 -0.912 . . . . 0.0 109.975 179.185 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.57 157.38 22.34 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 110.557 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.69 ' ND2' HH21 ' A' ' 19' ' ' ARG . 41.0 t-20 -47.3 -35.29 7.73 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.57 -0.707 . . . . 0.0 112.522 -177.132 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.86 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.457 -1.402 . . . . 0.0 110.968 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 34.2 m -59.16 -43.67 92.11 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.572 -1.33 . . . . 0.0 110.072 -179.288 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.62 65.66 Favored Glycine 0 C--N 1.291 -1.933 0 C-N-CA 118.929 -1.605 . . . . 0.0 109.872 -178.363 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.68 -50.05 66.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.137 -1.213 . . . . 0.0 109.977 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 38.9 t80 -60.02 -46.36 89.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.664 -1.272 . . . . 0.0 110.117 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.6 t80 -64.51 -45.65 86.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.386 -0.821 . . . . 0.0 110.742 -178.438 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.15 -40.27 89.27 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.151 -1.593 . . . . 0.0 109.788 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.93 -39.49 66.21 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.235 -0.915 . . . . 0.0 111.72 -179.308 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.619 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 80.8 m-70 -118.97 -1.08 11.04 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.916 -1.115 . . . . 0.0 112.338 -177.753 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.5 pt20 34.66 46.71 0.2 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.865 -1.147 . . . . 0.0 113.699 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -140.01 151.85 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.305 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -81.13 117.74 21.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.142 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 42' ' ' ARG . 2.7 ttt-85 -93.06 135.22 26.08 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.488 -0.758 . . . . 0.0 109.488 -179.311 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -43.73 151.51 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 120.846 1.031 . . . . 0.0 113.091 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 44' ' ' LEU . 6.7 mp -67.79 -16.06 63.93 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.489 -0.757 . . . . 0.0 110.718 -178.665 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.0 p -50.62 -10.04 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.237 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' LEU . 10.9 tpt -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 1.1 mpt_? -81.97 157.02 24.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.234 -0.916 . . . . 0.0 111.402 -178.71 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -112.59 -156.75 0.6 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.079 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -92.51 2.64 56.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.88 -1.138 . . . . 0.0 109.926 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.33 -178.43 29.57 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 178.61 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mt -82.77 139.32 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.852 -1.381 . . . . 0.0 107.378 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.98 146.94 30.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.853 -1.154 . . . . 0.0 109.997 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.97 160.56 39.46 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.017 -1.052 . . . . 0.0 109.606 -179.55 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.604 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.51 161.8 41.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.272 0.558 . . . . 0.0 109.54 -179.385 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.62 136.46 38.92 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.232 -0.917 . . . . 0.0 108.591 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 90.4 mtt180 -69.78 139.73 53.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.672 -178.842 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -63.68 -169.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.852 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.22 130.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 -179.407 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.6 p -70.0 149.73 47.4 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.356 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -147.97 132.89 18.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 109.279 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -151.59 -33.24 0.15 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.0 110.17 -179.698 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.18 53.62 0.18 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -59.97 -39.97 87.5 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.406 -1.055 . . . . 0.0 109.203 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -78.85 129.39 34.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.023 -1.048 . . . . 0.0 108.802 179.363 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 65' ' ' ARG . 46.2 mtt-85 -106.19 130.84 53.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.502 -0.749 . . . . 0.0 109.256 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.099 -1.001 . . . . 0.0 109.126 179.581 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.518 1 O4'-C1'-N19 111.312 4.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . 0.431 " H3'" HH12 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.833 3.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.559 ' P ' HH11 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.861 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.37 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.5 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.164 1 O4'-C1'-N19 112.51 5.887 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.421 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.328 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.407 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 1 O4'-C1'-N19 111.212 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.821 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.388 1 O4'-C1'-N19 112.62 6.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.534 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.399 0 C3'-C2'-C1' 107.116 3.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.755 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.378 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 1 O4'-C1'-N19 111.467 4.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.419 ' C8 ' ' H71' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 113.276 6.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.419 ' H71' ' C8 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 112.557 5.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.405 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 1 O4'-C1'-N19 111.502 4.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.421 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.438 1 O4'-C1'-N19 111.939 5.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.503 ' OP1' ' NE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.375 0 C3'-C2'-C1' 107.211 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 111.532 4.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.473 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.88 3.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.432 4.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.515 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 5' ' ' THR . 92.6 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.559 HH11 ' P ' ' B' ' 105' ' ' ' DC' . 0.1 OUTLIER -90.79 -3.23 57.57 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.68 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 112.6 12.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 109.896 -179.515 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -9.98 70.05 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 7.2 m -70.46 118.9 13.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.887 -1.361 . . . . 0.0 110.539 -178.761 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.62 142.96 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.202 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' CYS . 10.8 t -78.95 126.97 31.39 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.575 -1.328 . . . . 0.0 109.533 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -177.849 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -78.52 -38.97 39.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.061 -1.649 . . . . 0.0 109.086 -179.17 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.826 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.3 p -131.47 88.08 2.54 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.784 1.278 . . . . 0.0 108.393 179.056 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -37.1 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.812 0 CA-C-N 113.486 -1.688 . . . . 0.0 114.503 -179.121 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.826 ' N ' ' O ' ' A' ' 10' ' ' CYS . 8.8 t -73.66 174.33 8.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 119.959 -1.713 . . . . 0.0 109.524 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.9 p -129.32 6.24 5.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.391 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -115.66 124.79 51.79 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.448 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 p -148.96 151.09 33.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.211 -0.931 . . . . 0.0 109.639 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -80.04 -39.29 30.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.402 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.861 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 7.0 tp -144.44 130.23 19.23 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.65 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -82.48 127.54 33.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 108.946 179.378 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.71 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.0 mmt-85 -114.0 119.54 37.55 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.39 -0.819 . . . . 0.0 110.847 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -71.43 141.44 50.28 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.52 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -90.75 154.49 45.73 Favored Pre-proline 0 N--CA 1.504 2.271 0 O-C-N 120.719 -1.238 . . . . 0.0 109.757 -179.179 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -47.98 -25.93 6.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.028 1.152 . . . . 0.0 112.422 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.2 mtt -90.26 -15.19 31.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.546 -0.721 . . . . 0.0 109.596 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.84 18.72 21.88 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.18 113.18 60.91 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.186 -1.185 . . . . 0.0 109.658 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -49.89 130.34 26.9 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 CA-C-N 120.013 1.04 . . . . 0.0 113.294 179.481 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.17 153.12 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.338 -0.851 . . . . 0.0 108.959 177.453 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -78.14 165.63 23.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 33' ' ' LEU . 48.1 t-20 -54.94 -41.63 71.29 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 111.38 -177.262 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.15 -59.7 4.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.746 -1.221 . . . . 0.0 111.118 -178.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -60.09 -39.97 87.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.576 -178.663 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -50.03 64.62 Favored Glycine 0 N--CA 1.485 1.948 0 C-N-CA 119.164 -1.493 . . . . 0.0 109.748 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 29' ' ' ASN . 74.2 mt -65.41 -51.41 60.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.276 -1.132 . . . . 0.0 110.717 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 22.6 t80 -60.29 -44.69 95.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.001 -1.062 . . . . 0.0 109.803 -179.54 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.3 t80 -60.05 -43.56 95.3 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.284 -179.041 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -60.11 -45.25 93.58 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.119 -1.613 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.05 -42.46 69.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.105 -0.997 . . . . 0.0 111.781 -178.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -111.89 -9.91 14.02 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.995 -1.065 . . . . 0.0 112.185 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 39.57 47.79 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.536 -1.353 . . . . 0.0 113.296 179.43 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.02 151.54 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 176.212 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 38.1 p-10 -85.68 130.02 34.67 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.783 -1.198 . . . . 0.0 110.184 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.57 150.05 39.1 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.331 -0.855 . . . . 0.0 109.894 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 45' ' ' THR . 6.0 Cg_endo -60.4 152.95 63.69 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.304 1.336 . . . . 0.0 112.947 179.257 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.4 mp -62.98 7.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.524 -0.735 . . . . 0.0 109.97 179.681 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.9 p -64.81 -12.84 52.45 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.128 -0.982 . . . . 0.0 109.262 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -97.59 -21.48 17.04 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.204 -0.935 . . . . 0.0 109.06 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.09 145.71 29.1 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -131.01 151.55 51.29 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.295 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.4 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.026 -1.046 . . . . 0.0 109.88 -179.541 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.78 -176.75 17.31 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mt -91.57 141.92 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.225 -1.162 . . . . 0.0 109.724 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.97 151.94 31.32 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.378 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.64 157.64 45.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.264 -0.897 . . . . 0.0 110.323 -179.125 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 2.1 mmt180 -145.42 171.19 14.98 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.225 179.458 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.06 136.07 57.91 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.503 ' NE ' ' OP1' ' C' ' 126' ' ' ' DC' . 39.7 ttm180 -60.01 129.03 39.75 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 110.264 -178.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 19.8 ttmt -44.99 161.92 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.57 -0.706 . . . . 0.0 109.112 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m -51.31 140.04 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.979 -1.075 . . . . 0.0 109.595 -179.56 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.3 p -86.47 30.95 0.68 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 t -50.79 -32.49 20.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.852 -0.53 . . . . 0.0 110.219 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -66.06 -39.96 90.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.145 -0.972 . . . . 0.0 108.966 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.17 153.36 25.35 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -145.39 141.0 28.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -1.165 . . . . 0.0 108.866 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -81.61 -104.69 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.194 -0.941 . . . . 0.0 108.961 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' NH1' ' CG ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -151.39 126.49 9.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.934 -1.104 . . . . 0.0 109.597 -179.914 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.199 179.275 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.221 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.598 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 1 O4'-C1'-N19 111.798 4.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.537 ' P ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.364 0 O4'-C1'-N19 110.758 3.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.742 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.557 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.299 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.557 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.205 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.428 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.598 1 O4'-C1'-N19 111.541 4.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.346 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.888 5.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 C3'-C2'-C1' 106.586 2.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.524 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.321 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.355 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.396 1 O4'-C1'-N19 111.458 4.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.423 ' C8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.1 0 O4'-C1'-N19 110.266 3.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.524 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.253 4.316 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 O4'-C1'-N19 110.864 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.421 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.865 1 O4'-C1'-N19 111.524 4.655 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.421 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.042 1 O4'-C1'-N19 111.625 4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . 0.415 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.379 1 O4'-C1'-N19 111.449 4.562 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.474 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.943 5.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.111 0 C3'-C2'-C1' 107.223 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.357 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.358 0 O4'-C1'-N19 110.663 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.437 4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' OG1' ' A' ' 5' ' ' THR . 50.9 mtpt . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.537 ' NH1' ' P ' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -80.93 -12.84 59.33 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 109.206 179.362 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.17 110.68 4.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.273 -0.892 . . . . 0.0 110.612 -178.474 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.11 -6.45 83.5 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 178.697 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 3.3 m -68.27 112.37 5.13 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.982 -1.304 . . . . 0.0 110.8 -178.543 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.09 140.92 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 176.834 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.9 t -60.77 118.04 6.14 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 120.886 -1.134 . . . . 0.0 110.05 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.04 -40.0 87.85 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.115 -179.329 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.575 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 77.3 m-20 -75.57 -39.53 58.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.771 -1.171 . . . . 0.0 112.363 -178.627 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.466 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.8 p -127.95 11.69 6.62 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.441 1.473 . . . . 0.0 113.003 -178.537 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.1 mt-30 56.79 -0.61 0.06 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.37 -1.456 . . . . 0.0 113.734 176.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.7 t -63.65 157.16 24.73 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 119.821 -1.799 . . . . 0.0 108.494 179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -128.83 6.65 5.56 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 121.039 -1.038 . . . . 0.0 110.572 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 7.9 p -107.8 48.97 0.82 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.948 -1.095 . . . . 0.0 109.165 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.512 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -74.35 146.31 43.16 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 121.21 -0.931 . . . . 0.0 111.857 -176.922 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -72.93 -41.87 64.08 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.487 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.964 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.8 tp -142.67 131.52 22.86 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.844 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.512 ' CZ3' HG21 ' A' ' 15' ' ' THR . 61.5 m95 -79.63 126.98 31.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.074 -1.016 . . . . 0.0 109.9 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.964 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.7 mmt180 -108.33 177.22 4.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.302 -0.874 . . . . 0.0 108.921 179.388 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -131.1 139.64 49.89 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.694 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -92.74 156.23 41.09 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 120.909 -1.119 . . . . 0.0 109.448 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.08 -14.62 1.51 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.25 1.3 . . . . 0.0 112.597 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.8 OUTLIER -94.92 -11.59 28.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 109.948 -179.658 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.38 31.1 9.9 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -108.52 114.45 59.02 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.513 -0.993 . . . . 0.0 109.293 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -50.57 140.6 35.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 CA-C-N 120.192 1.104 . . . . 0.0 112.944 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.0 m -143.54 159.44 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.48 -0.762 . . . . 0.0 109.96 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -84.14 156.78 21.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.074 -1.016 . . . . 0.0 109.575 179.214 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.659 ' ND2' HH21 ' A' ' 19' ' ' ARG . 47.6 t-20 -45.25 -40.44 7.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 111.812 -178.399 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.2 39.21 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.855 -1.153 . . . . 0.0 111.475 -178.382 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.9 m -56.71 -39.06 73.2 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 110.57 -178.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.85 -49.23 80.1 Favored Glycine 0 N--CA 1.487 2.092 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.035 -178.558 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 mt -69.5 -47.47 63.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.199 -1.177 . . . . 0.0 110.296 -179.314 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 29.7 t80 -60.04 -40.04 87.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.769 -1.207 . . . . 0.0 109.132 -179.659 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 39' ' ' GLN . 57.3 t80 -59.95 -44.68 94.26 Favored 'General case' 0 C--O 1.199 -1.593 0 O-C-N 121.531 -0.731 . . . . 0.0 110.02 -178.766 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -56.27 -47.12 79.21 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 120.139 -1.601 . . . . 0.0 110.159 -179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.8 mp -71.95 -35.89 69.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.4 -1.437 . . . . 0.0 109.618 178.735 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.972 ' O ' ' N ' ' A' ' 40' ' ' VAL . 62.2 m-70 -112.24 42.79 1.72 Allowed 'General case' 0 C--O 1.192 -1.967 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.937 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 35' ' ' TYR . 50.5 tt0 -31.3 59.28 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 CA-C-O 122.156 0.979 . . . . 0.0 110.66 -179.216 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.972 ' N ' ' O ' ' A' ' 38' ' ' HIS . 22.8 m -160.45 174.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.688 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 30.2 p-10 -80.23 128.63 33.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 108.338 178.665 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.903 ' H ' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -97.81 154.65 37.76 Favored Pre-proline 0 N--CA 1.503 2.176 0 O-C-N 121.167 -0.958 . . . . 0.0 112.006 -177.495 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 45' ' ' THR . 29.0 Cg_endo -70.42 150.6 64.46 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.355 1.37 . . . . 0.0 111.551 178.577 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.36 15.55 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.356 -0.84 . . . . 0.0 110.881 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.0 p -66.35 -18.63 65.47 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.813 -1.179 . . . . 0.0 109.551 179.548 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -99.07 -2.51 36.92 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.149 -0.97 . . . . 0.0 110.675 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 41.8 ttt-85 -83.17 129.96 35.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.194 -0.941 . . . . 0.0 111.281 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -125.99 146.32 49.93 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.364 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.12 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.807 -1.183 . . . . 0.0 110.51 -178.203 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.22 -173.41 29.18 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 14' ' ' THR . 1.9 mt -91.69 135.53 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.303 -1.116 . . . . 0.0 110.256 -179.689 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.26 152.74 43.0 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.27 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.67 158.18 43.92 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.74 -1.225 . . . . 0.0 111.397 -178.581 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 60.5 mtt-85 -150.93 170.01 20.37 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.949 179.473 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -54.8 135.62 47.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.363 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.07 130.27 46.18 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.371 -0.83 . . . . 0.0 111.398 -177.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 33.0 ttpt -48.42 156.22 0.44 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.64 -0.663 . . . . 0.0 109.284 178.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 ' N ' ' A' ' 59' ' ' SER . 14.0 p -50.23 174.82 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.178 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.555 ' N ' HG22 ' A' ' 58' ' ' VAL . 13.4 p -54.66 151.45 8.15 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 119.848 -1.783 . . . . 0.0 108.017 -179.251 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.6 p -49.71 -52.64 29.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.779 -1.201 . . . . 0.0 108.927 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -135.25 148.14 49.48 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.555 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.01 170.49 40.07 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.526 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -145.57 151.31 37.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -1.099 . . . . 0.0 109.704 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -126.68 -25.35 3.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.361 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -145.91 157.52 43.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.311 -0.868 . . . . 0.0 109.755 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.908 -1.044 . . . . 0.0 109.659 -179.66 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.579 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.429 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 103' ' ' ' DT' . . . . . 0.429 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.694 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.242 0 C3'-C2'-C1' 106.827 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.17 0 O4'-C1'-N19 110.809 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.761 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.649 0 C3'-C2'-C1' 106.783 2.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.604 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 112.289 5.612 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.467 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.235 3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.591 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.26 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 0 O4'-C1'-N19 110.131 2.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 114' ' ' ' DA' . . . . . 0.451 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.82 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.306 1 O4'-C1'-N19 111.221 4.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . 0.837 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.36 3.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 118' ' ' ' DA' . . . . . 0.451 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.375 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 120' ' ' ' DG' . . . . . 0.54 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 112.15 5.437 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.54 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.73 4.913 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 1 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 123' ' ' ' DT' . . . . . 0.472 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.396 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.677 0 O4'-C1'-N19 110.757 3.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.467 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 112.684 6.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.005 0 C3'-C2'-C1' 107.509 3.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 128' ' ' ' DG' . . . . . 0.545 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.682 3.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.246 4.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.373 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 64.0 mttp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 120.874 0.369 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.563 HH22 ' NH1' ' A' ' 20' ' ' ARG . 3.1 mmp_? -100.0 12.06 37.77 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.723 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.15 110.25 17.19 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.403 0.62 . . . . 0.0 110.186 -179.782 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 0.5 75.86 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.419 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' CZ3' ' A' ' 18' ' ' TRP . 10.2 m -66.79 119.49 11.92 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.709 -1.465 . . . . 0.0 110.896 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.11 141.84 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.007 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.0 t -62.58 115.36 4.2 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.528 -1.357 . . . . 0.0 110.729 -179.509 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -60.05 -40.03 88.0 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 109.489 179.443 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' ND2' HG11 ' A' ' 27' ' ' VAL . 99.7 m-20 -75.29 -39.52 59.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.871 -1.143 . . . . 0.0 112.581 -178.191 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 p -128.26 11.43 6.42 Favored 'General case' 0 N--CA 1.509 2.502 0 CA-C-N 120.392 1.451 . . . . 0.0 112.238 -178.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 78.5 mt-30 61.42 2.59 0.67 Allowed 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.535 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -64.41 160.03 20.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 119.632 -1.918 . . . . 0.0 109.369 -179.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -133.6 11.49 4.07 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.103 -0.998 . . . . 0.0 108.99 178.224 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 19.5 p -114.39 48.22 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.492 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.9 p -76.06 148.99 37.57 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 121.053 -1.029 . . . . 0.0 111.35 -176.608 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -79.55 -37.82 35.59 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 177.522 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.761 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 6.6 tp -144.48 132.15 21.16 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.508 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CZ3' HG21 ' A' ' 15' ' ' THR . 84.5 m95 -84.49 127.59 34.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.717 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.754 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.4 mmt180 -114.18 119.04 35.73 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.465 -0.772 . . . . 0.0 109.755 -179.27 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.563 ' NH1' HH22 ' A' ' 2' ' ' ARG . 0.7 OUTLIER -70.39 143.2 51.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 119.843 -1.785 . . . . 0.0 107.432 177.561 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 156.25 40.85 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 120.934 -1.104 . . . . 0.0 110.097 -179.297 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.81 -23.38 8.46 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.591 1.528 . . . . 0.0 113.09 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.1 ttt -94.47 -15.33 24.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.067 -1.02 . . . . 0.0 109.869 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 22.69 9.9 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.406 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -100.31 114.07 65.6 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.364 . . . . 0.0 109.76 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -52.59 130.94 38.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 CA-C-N 120.159 1.092 . . . . 0.0 112.324 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 ' ND2' ' A' ' 9' ' ' ASN . 6.4 m -134.76 160.87 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.445 -0.784 . . . . 0.0 109.67 178.34 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -82.74 160.29 22.36 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.205 -0.934 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.754 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.3 t-20 -47.42 -41.77 20.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.744 -0.598 . . . . 0.0 112.218 -177.694 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.39 29.48 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.709 -1.244 . . . . 0.0 110.681 -178.177 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' NE ' ' A' ' 42' ' ' ARG . 55.9 m -56.03 -52.69 63.34 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.648 -1.283 . . . . 0.0 108.919 179.608 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.36 -59.92 2.5 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 37' ' ' LEU . 90.3 mt -60.76 -50.86 71.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -1.038 . . . . 0.0 111.974 -178.718 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -59.94 -37.1 78.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.786 -1.196 . . . . 0.0 109.698 -179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' GLN . 30.8 t80 -59.49 -49.48 77.64 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.26 0.552 . . . . 0.0 110.335 -178.415 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.71 86.9 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.632 -1.293 . . . . 0.0 109.976 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.4 mp -59.09 -45.97 89.48 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 108.623 -178.586 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 47.3 m80 -108.97 -72.46 0.72 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.183 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 51.1 tt0 114.59 61.14 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 CA-C-O 122.115 0.96 . . . . 0.0 108.514 -179.106 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.56 162.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.118 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.9 p30 -81.52 133.86 35.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.015 -1.053 . . . . 0.0 108.796 179.168 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NE ' ' SG ' ' A' ' 31' ' ' CYS . 24.4 ptt180 -92.54 150.08 39.24 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 120.834 -1.166 . . . . 0.0 109.4 -179.12 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.95 151.16 82.62 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 120.639 0.892 . . . . 0.0 111.827 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.1 mp -68.04 0.37 3.65 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.318 -0.864 . . . . 0.0 110.483 -179.257 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -61.18 -16.55 45.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.642 -1.286 . . . . 0.0 108.466 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 ttt -97.89 -0.95 44.04 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.254 -0.904 . . . . 0.0 109.865 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -80.16 129.95 34.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ASP . 53.9 tttm -123.38 138.36 54.62 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 2.1 p-10 -39.37 -90.86 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.51 -0.743 . . . . 0.0 110.95 -178.499 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -72.11 -174.08 21.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.328 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -91.36 144.45 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.176 -1.19 . . . . 0.0 109.279 179.241 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.47 152.65 28.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.568 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.93 38.64 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.927 -1.108 . . . . 0.0 109.784 -179.506 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -151.28 175.51 12.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.832 -0.543 . . . . 0.0 109.949 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.03 137.31 58.24 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -68.15 135.23 51.79 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.907 0.861 . . . . 0.0 111.752 -178.242 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -50.09 149.71 2.69 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.74 -0.6 . . . . 0.0 110.049 179.608 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -45.02 156.23 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.352 -0.843 . . . . 0.0 108.733 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -89.44 151.87 21.78 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.767 -1.208 . . . . 0.0 109.767 -179.293 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -162.69 150.98 14.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.138 -0.976 . . . . 0.0 109.464 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -170.72 -50.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.827 -1.171 . . . . 0.0 110.94 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.38 88.15 1.01 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.87 -43.21 72.3 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.455 -1.027 . . . . 0.0 109.795 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -163.77 105.45 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.097 -1.002 . . . . 0.0 109.547 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -151.03 160.16 44.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.111 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.521 -179.982 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.246 0.546 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 -11.44 60.71 Favored Glycine 0 N--CA 1.495 2.588 0 O-C-N 121.284 -0.885 . . . . 0.0 111.636 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -63.25 119.14 9.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.5 -1.588 . . . . 0.0 109.485 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.7 141.74 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 11' ' ' GLN . 31.8 t -62.94 115.26 4.23 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.646 -1.284 . . . . 0.0 110.452 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -60.3 -39.98 88.88 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.74 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -74.99 -39.11 61.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.893 -1.13 . . . . 0.0 111.808 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 p -130.1 14.03 5.7 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.175 1.352 . . . . 0.0 112.738 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.4 mt-30 57.21 1.16 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.583 -1.323 . . . . 0.0 114.0 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 7' ' ' CYS . 6.5 t -61.2 156.86 17.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 119.897 -1.752 . . . . 0.0 108.557 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -133.51 10.01 4.02 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.876 -1.14 . . . . 0.0 108.825 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 30.2 p -112.47 47.52 1.07 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.499 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -75.76 149.03 38.08 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.082 -1.011 . . . . 0.0 111.285 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.417 HG22 HG21 ' A' ' 51' ' ' ILE . 25.2 p -75.68 -39.39 57.62 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.634 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.8 tp -141.02 132.52 26.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 15' ' ' THR . 43.5 m95 -80.98 126.27 31.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.997 -1.064 . . . . 0.0 109.657 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.634 ' NH1' HD23 ' A' ' 17' ' ' LEU . 7.7 mmt-85 -110.49 177.9 4.54 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 18.0 tpt180 -130.56 141.93 50.47 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.9 160.08 38.85 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 120.986 -1.071 . . . . 0.0 109.475 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.51 -17.26 16.32 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.43 1.42 . . . . 0.0 112.479 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ttt -93.85 -12.02 29.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 109.88 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 94.52 21.81 25.78 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -99.01 115.05 65.99 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 0.0 108.822 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -49.97 139.08 34.31 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 CA-C-N 120.229 1.118 . . . . 0.0 112.544 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG11 ' ND2' ' A' ' 9' ' ' ASN . 2.3 m -140.77 159.64 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.3 -0.875 . . . . 0.0 110.418 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.06 155.06 24.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.198 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.513 HD22 ' NH1' ' A' ' 19' ' ' ARG . 24.2 t-20 -49.43 -31.34 9.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.307 -0.87 . . . . 0.0 110.636 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.62 -53.81 12.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.749 -1.219 . . . . 0.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -58.87 -41.74 87.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.825 -1.172 . . . . 0.0 110.086 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.85 -49.52 70.32 Favored Glycine 0 C--N 1.292 -1.913 0 C-N-CA 118.927 -1.606 . . . . 0.0 110.185 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.87 -49.71 49.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 110.438 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.0 -45.83 91.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.921 -1.112 . . . . 0.0 109.466 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLN . 34.1 t80 -60.93 -47.59 85.7 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.563 0.697 . . . . 0.0 110.083 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -60.0 -40.37 88.95 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.271 -1.518 . . . . 0.0 109.919 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.5 -39.98 67.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 111.605 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -113.34 -12.46 13.02 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.848 -1.157 . . . . 0.0 111.801 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' TYR . 33.4 tt0 43.29 57.02 3.99 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.44 -1.413 . . . . 0.0 111.429 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.12 154.82 8.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.15 120.46 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.787 -1.195 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 31.4 ttp180 -89.92 139.52 27.54 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.802 -0.561 . . . . 0.0 109.722 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -60.05 152.45 65.13 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 120.619 0.879 . . . . 0.0 112.337 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.8 mp -69.22 -1.16 7.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.685 . . . . 0.0 110.77 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -60.97 -14.88 25.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.746 -1.222 . . . . 0.0 109.63 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.535 ' SD ' ' NH1' ' A' ' 42' ' ' ARG . 20.4 ttt -98.22 -0.57 43.87 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.134 -0.979 . . . . 0.0 109.36 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -77.01 136.91 38.72 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.66 -0.65 . . . . 0.0 109.358 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -123.44 133.27 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -46.27 -83.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.038 -1.039 . . . . 0.0 110.012 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.92 178.74 28.8 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -92.19 140.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.4 -1.059 . . . . 0.0 110.234 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -78.48 149.72 33.13 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 159.96 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 0.0 109.359 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -152.36 169.84 21.56 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -54.79 138.91 41.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' A' ' 56' ' ' ARG . 39.4 mtt-85 -62.17 130.46 45.53 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.286 -0.884 . . . . 0.0 111.884 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' VAL . 5.6 ttmt -52.29 148.99 5.88 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' LYS . 14.9 p . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.484 -0.76 . . . . 0.0 109.453 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.216 0.531 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -2.19 80.74 Favored Glycine 0 N--CA 1.499 2.892 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 m -70.61 114.46 8.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.784 -1.421 . . . . 0.0 110.861 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.37 140.97 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -58.61 119.49 7.15 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.883 -1.136 . . . . 0.0 111.416 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -60.05 -39.85 87.43 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.369 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.47 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -75.63 -38.87 58.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.756 -1.215 . . . . 0.0 111.997 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.7 p -130.97 13.61 5.24 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 120.368 1.44 . . . . 0.0 112.877 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 7' ' ' CYS . 26.9 mm100 57.16 4.56 0.2 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.281 -1.512 . . . . 0.0 113.849 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -67.24 158.0 32.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 119.98 -1.7 . . . . 0.0 108.656 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 m -130.43 6.43 4.84 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.194 -0.941 . . . . 0.0 109.432 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.3 p -106.05 48.22 0.85 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.247 -0.908 . . . . 0.0 109.256 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -77.55 147.69 35.61 Favored 'General case' 0 C--N 1.284 -2.266 0 O-C-N 121.161 -0.962 . . . . 0.0 111.836 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.3 p -77.63 -39.04 46.61 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.859 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.7 tp -143.95 132.64 22.42 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CZ3' HG21 ' A' ' 15' ' ' THR . 59.5 m95 -80.74 128.08 33.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.862 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.859 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.8 mmt180 -110.72 176.24 5.11 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.575 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' NH1' ' A' ' 20' ' ' ARG . 17.4 mmm-85 -131.0 139.71 50.03 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 160.09 34.72 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.336 -0.852 . . . . 0.0 109.449 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.57 -16.08 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.382 1.388 . . . . 0.0 112.295 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.8 mtm -95.2 -11.4 28.13 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.035 -1.041 . . . . 0.0 109.8 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.54 36.36 6.2 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -109.86 115.99 54.53 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 121.282 -1.128 . . . . 0.0 110.439 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -51.95 128.72 27.81 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.065 1.059 . . . . 0.0 111.989 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.7 m -133.68 159.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.631 -0.668 . . . . 0.0 109.84 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.87 160.98 22.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -0.932 . . . . 0.0 109.861 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -49.76 -34.65 19.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.686 -0.634 . . . . 0.0 111.955 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.31 -49.97 15.53 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.534 -1.354 . . . . 0.0 111.717 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.467 ' HB3' HD22 ' A' ' 9' ' ' ASN . 69.6 m -59.81 -42.31 93.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.493 -1.379 . . . . 0.0 110.053 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.24 77.1 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.83 -47.02 76.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.367 -1.078 . . . . 0.0 109.159 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.96 -47.27 86.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 108.856 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' GLN . 12.8 t80 -63.56 -48.9 75.57 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-O 121.387 0.613 . . . . 0.0 110.845 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.13 -41.22 92.19 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.177 -1.577 . . . . 0.0 110.745 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.39 -41.46 84.93 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.974 -1.079 . . . . 0.0 111.281 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' GLN . 87.5 m-70 -123.31 6.95 9.05 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.869 -1.144 . . . . 0.0 112.559 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.2 tt0 35.92 59.19 0.9 Allowed 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.697 -1.252 . . . . 0.0 112.305 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.57 151.75 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -86.56 129.73 34.76 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.045 -1.034 . . . . 0.0 109.845 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.556 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -94.39 129.17 37.7 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.143 -0.973 . . . . 0.0 109.238 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -47.37 151.79 2.7 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 CA-C-N 120.071 1.061 . . . . 0.0 112.85 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.6 mp -60.04 -9.94 3.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.619 -0.676 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.6 p -57.02 -13.11 2.46 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 120.7 -1.25 . . . . 0.0 109.248 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 ttt -96.63 -4.41 41.07 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.11 -0.994 . . . . 0.0 109.999 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -78.06 133.73 37.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.685 -0.635 . . . . 0.0 111.302 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' GLY . 31.4 mtmm -115.98 128.6 55.87 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.44 5.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.873 -1.142 . . . . 0.0 111.221 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -150.34 168.73 30.29 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 14' ' ' THR . 3.1 mt -90.02 137.8 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.269 . . . . 0.0 109.76 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.69 150.79 27.85 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.505 -0.747 . . . . 0.0 109.489 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.84 160.4 39.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 110.346 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -149.74 156.25 41.53 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.51 139.98 11.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.044 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -57.49 123.37 15.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 109.232 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -67.6 169.53 9.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.318 -0.864 . . . . 0.0 110.18 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.301 -1.501 0 O-C-N 121.527 -0.733 . . . . 0.0 109.842 -179.469 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.346 0.593 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 -10.9 55.99 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 m -63.28 120.64 11.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -1.23 . . . . 0.0 110.191 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.25 141.93 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 t -63.07 117.53 6.61 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.587 -1.321 . . . . 0.0 109.888 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PRO . 63.8 m -59.94 -40.13 87.88 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.441 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -73.33 -40.06 64.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 112.547 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.52 13.05 4.53 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.366 -1.459 . . . . 0.0 112.52 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.9 tt0 63.29 -0.92 0.59 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.759 -1.213 . . . . 0.0 113.584 176.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -63.1 148.35 48.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 119.622 -1.924 . . . . 0.0 108.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.5 p -108.92 -7.82 15.37 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 p -103.45 121.72 43.41 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.441 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.4 p -145.38 147.13 31.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 0.0 109.457 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 p -74.46 -40.58 61.81 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.798 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.1 tp -144.79 129.98 18.6 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CZ3' HG21 ' A' ' 15' ' ' THR . 88.8 m95 -81.42 130.13 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.798 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -113.09 113.85 25.99 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 21' ' ' SER . 16.1 tpt180 -78.78 82.33 5.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 119.973 -1.704 . . . . 0.0 108.297 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.4 156.88 0.03 OUTLIER Pre-proline 0 N--CA 1.505 2.291 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -54.19 -16.41 9.62 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.241 1.961 . . . . 0.0 114.2 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.4 mtt -94.14 -16.88 23.34 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.963 -1.086 . . . . 0.0 109.377 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 16.86 23.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.72 122.0 54.49 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.617 -1.52 . . . . 0.0 109.369 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 8' ' ' SER . 5.7 Cg_exo -57.59 134.26 62.03 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 CA-C-N 120.049 1.053 . . . . 0.0 112.949 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' ARG . 10.8 m -141.41 161.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 121.35 -0.843 . . . . 0.0 109.979 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.45 154.45 22.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.942 -1.099 . . . . 0.0 109.379 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.749 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.1 t-20 -44.76 -37.57 3.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.5 -0.75 . . . . 0.0 111.983 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -48.48 55.28 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.602 -1.311 . . . . 0.0 111.411 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' NH1' ' A' ' 42' ' ' ARG . 56.5 m -61.23 -41.7 97.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.87 -1.143 . . . . 0.0 110.885 -178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.67 56.74 Favored Glycine 0 N--CA 1.484 1.893 0 C-N-CA 118.903 -1.618 . . . . 0.0 109.752 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 68.8 mt -64.51 -47.28 79.48 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 109.771 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 24.1 t80 -59.96 -42.98 95.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.052 -1.03 . . . . 0.0 109.489 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 39' ' ' GLN . 16.8 t80 -68.82 -46.59 68.22 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.674 -0.642 . . . . 0.0 110.858 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.3 ttpm? -59.93 -41.21 91.31 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 119.942 -1.724 . . . . 0.0 110.386 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.05 -39.99 75.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.085 -1.009 . . . . 0.0 111.612 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -119.07 0.69 11.32 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.85 -1.156 . . . . 0.0 112.212 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.3 pt20 36.62 42.21 0.2 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.701 -1.25 . . . . 0.0 113.183 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.27 154.78 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.092 -1.005 . . . . 0.0 108.467 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -84.19 131.56 34.75 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.246 -0.909 . . . . 0.0 110.077 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.75 149.55 37.62 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.231 -0.918 . . . . 0.0 110.639 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.2 Cg_endo -62.9 153.25 74.39 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.372 1.381 . . . . 0.0 112.267 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.23 18.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.474 -0.766 . . . . 0.0 110.458 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 43' ' ' PRO . 14.0 t -64.16 -18.11 64.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.312 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.6 mtp -100.89 -7.36 23.55 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.3 -0.875 . . . . 0.0 109.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -81.24 130.79 35.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.387 -0.82 . . . . 0.0 110.503 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -131.36 150.07 52.29 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -41.55 -85.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 110.942 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.66 -172.54 32.56 Favored Glycine 0 N--CA 1.493 2.462 0 O-C-N 121.049 -1.032 . . . . 0.0 111.229 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -90.69 141.01 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.766 -0.843 . . . . 0.0 109.339 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -80.48 152.66 28.62 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.05 162.46 34.08 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.914 -1.116 . . . . 0.0 110.606 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -149.97 158.93 44.66 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.351 0.595 . . . . 0.0 109.945 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -56.11 139.75 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.388 -0.82 . . . . 0.0 109.223 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -64.9 127.01 29.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.351 -0.843 . . . . 0.0 110.51 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -65.12 160.68 20.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.709 -0.619 . . . . 0.0 109.426 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 110.08 -179.329 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.562 0.696 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.6 -10.84 58.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -68.1 114.84 6.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.725 -1.456 . . . . 0.0 110.326 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.62 142.42 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 43.7 t -63.97 119.05 9.36 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 120.79 -1.193 . . . . 0.0 110.395 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.6 m -60.59 -40.1 90.52 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.83 -0.543 . . . . 0.0 110.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -77.42 -38.68 49.18 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.066 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.7 p -128.59 13.57 6.47 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 120.291 1.405 . . . . 0.0 112.428 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 24.4 mt-30 56.04 0.06 0.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.695 -1.253 . . . . 0.0 113.537 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 12.3 t -63.68 154.18 33.83 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 119.993 -1.692 . . . . 0.0 108.471 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -127.96 3.07 5.94 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.288 -0.882 . . . . 0.0 108.774 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.0 p -100.34 49.17 0.91 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.565 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -78.92 144.47 34.84 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.315 -0.865 . . . . 0.0 111.54 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.9 p -77.49 -36.51 52.6 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.852 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.8 tp -141.94 130.9 23.09 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 15' ' ' THR . 45.0 m95 -80.86 125.24 29.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.678 -1.264 . . . . 0.0 109.242 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.852 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -117.2 129.34 55.87 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -82.5 148.06 28.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 119.987 -1.696 . . . . 0.0 106.854 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.73 157.04 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 120.963 -1.086 . . . . 0.0 109.582 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -50.29 -23.09 9.41 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.265 1.31 . . . . 0.0 112.104 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -90.72 -15.19 30.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.53 25.01 9.58 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.83 119.38 54.72 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.269 -1.136 . . . . 0.0 109.707 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -51.21 127.98 23.79 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 CA-C-N 120.154 1.091 . . . . 0.0 112.655 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.08 158.15 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.218 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -81.32 155.68 25.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.084 -1.01 . . . . 0.0 109.126 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 49.9 t-20 -49.93 -30.95 11.24 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.231 -0.918 . . . . 0.0 111.967 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.57 -50.19 16.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.253 -1.53 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.16 -40.54 81.66 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.603 -1.311 . . . . 0.0 109.618 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.92 69.37 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.163 -1.494 . . . . 0.0 110.229 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.18 -49.89 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.129 -1.218 . . . . 0.0 110.197 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.07 -42.19 94.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.856 -1.153 . . . . 0.0 109.602 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -69.52 -47.72 62.85 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 121.411 -0.806 . . . . 0.0 110.184 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.1 -42.37 94.53 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.954 -1.716 . . . . 0.0 110.026 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.12 -42.1 73.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.022 -1.049 . . . . 0.0 111.402 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' O ' HG13 ' A' ' 40' ' ' VAL . 76.1 m-70 -115.77 1.41 13.44 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 120.769 -1.207 . . . . 0.0 112.178 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 pm0 32.97 46.63 0.09 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.885 -1.134 . . . . 0.0 113.478 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 38' ' ' HIS . 11.3 m -140.88 150.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 108.683 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.19 139.41 31.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.743 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.24 150.03 62.55 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.135 -0.978 . . . . 0.0 109.258 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' C ' ' H ' ' A' ' 45' ' ' THR . 4.4 Cg_exo -51.71 150.47 16.88 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 120.783 0.989 . . . . 0.0 113.357 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.06 7.22 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.445 -0.784 . . . . 0.0 110.147 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.541 ' H ' ' C ' ' A' ' 43' ' ' PRO . 13.1 t -63.18 -12.24 26.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 108.631 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tpt -95.58 -11.95 26.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.197 -0.939 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' NH1' ' O ' ' A' ' 10' ' ' CYS . 70.4 ttt180 -81.05 130.82 35.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.74 -0.6 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 50' ' ' GLY . 19.4 mmmt -117.8 131.03 56.62 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.41 -0.806 . . . . 0.0 109.086 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -52.95 2.11 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.371 -0.83 . . . . 0.0 112.452 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.88 169.82 31.28 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 120.636 -1.29 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 14' ' ' THR . 33.3 mt -90.38 129.45 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -1.087 . . . . 0.0 108.811 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.32 151.29 28.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.502 -0.749 . . . . 0.0 109.356 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 167.85 20.45 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.583 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -152.71 163.0 40.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -54.19 135.84 43.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 108.906 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' A' ' 56' ' ' ARG . 5.8 tpt180 -56.24 121.23 9.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 109.717 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -64.77 -167.9 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 0.0 109.507 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.387 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.09 2.51 64.27 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 m -63.43 120.36 11.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.725 -1.456 . . . . 0.0 110.845 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.95 141.87 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.0 t -64.44 117.15 6.89 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.468 -1.395 . . . . 0.0 110.3 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 m -59.91 -40.05 87.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.462 -0.774 . . . . 0.0 110.478 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.441 ' HB3' HH12 ' A' ' 42' ' ' ARG . 94.1 m-20 -75.41 -38.67 59.73 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.212 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.4 p -130.79 12.43 5.28 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 120.318 1.417 . . . . 0.0 112.258 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' CYS . 28.7 mm100 59.33 1.49 0.25 Allowed 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -60.8 144.8 51.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.75 -1.844 . . . . 0.0 107.759 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -108.13 -3.22 18.79 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -106.55 121.38 44.19 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.51 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.8 p -144.59 148.86 34.89 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.074 -1.016 . . . . 0.0 110.121 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.5 p -74.12 -42.39 60.11 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' NH1' ' A' ' 19' ' ' ARG . 11.8 tp -143.67 130.88 20.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.202 -0.936 . . . . 0.0 108.691 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CZ3' HG21 ' A' ' 15' ' ' THR . 65.6 m95 -77.37 127.56 32.78 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.836 -1.165 . . . . 0.0 108.801 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.628 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -115.18 120.66 40.48 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.551 -0.718 . . . . 0.0 109.938 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 20' ' ' ARG . 5.1 tpt180 -71.71 143.14 49.76 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -89.0 152.4 48.29 Favored Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 120.83 -1.169 . . . . 0.0 109.701 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -49.24 -22.82 6.02 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.13 1.22 . . . . 0.0 112.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' OD2' ' A' ' 25' ' ' ASP . 25.9 ptm -92.47 -14.41 28.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.336 -0.853 . . . . 0.0 109.776 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.24 23.13 10.71 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' OD2' ' SD ' ' A' ' 23' ' ' MET . 35.9 m-20 -103.35 117.22 60.69 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.03 -1.277 . . . . 0.0 108.825 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -53.05 135.14 58.33 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 120.283 1.137 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG11 ' ND2' ' A' ' 9' ' ' ASN . 5.1 m -139.88 159.65 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 O-C-N 121.109 -0.994 . . . . 0.0 110.246 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.4 153.06 25.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.218 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.578 HD22 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -49.96 -32.02 13.93 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.96 -1.088 . . . . 0.0 112.123 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -51.77 28.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.319 -1.488 . . . . 0.0 110.312 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 m -57.06 -43.85 82.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.969 -1.082 . . . . 0.0 110.567 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.83 -51.54 54.58 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.601 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.215 -1.168 . . . . 0.0 109.885 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.06 -41.7 92.91 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 109.551 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 39' ' ' GLN . 19.9 t80 -68.89 -48.12 64.15 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.659 -0.651 . . . . 0.0 110.44 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.02 -41.2 91.68 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 120.013 -1.68 . . . . 0.0 110.6 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.81 -38.58 76.66 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.052 -1.03 . . . . 0.0 110.871 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -119.49 -9.16 9.9 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.042 -1.036 . . . . 0.0 112.097 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.705 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.3 tt0 43.02 51.2 5.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.353 -1.467 . . . . 0.0 111.123 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.84 152.04 13.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -85.78 132.61 34.09 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.177 -0.952 . . . . 0.0 108.862 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.833 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -119.61 150.0 49.22 Favored Pre-proline 0 N--CA 1.507 2.4 0 O-C-N 121.326 -0.859 . . . . 0.0 109.47 -179.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -51.66 150.33 16.94 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 120.677 0.918 . . . . 0.0 113.633 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.569 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp -67.08 -19.12 65.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.837 -0.539 . . . . 0.0 110.646 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 2.0 t -43.53 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.09 -1.006 . . . . 0.0 110.318 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 44' ' ' LEU . 75.6 mmm -78.52 -46.64 19.07 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.026 -1.046 . . . . 0.0 110.189 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -81.33 169.23 17.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.88 . . . . 0.0 111.105 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -137.86 164.29 29.33 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -49.09 -79.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.913 . . . . 0.0 109.81 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.23 -176.73 24.55 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.25 135.91 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.368 -1.078 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -78.2 153.4 32.02 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.3 162.7 33.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.683 -1.261 . . . . 0.0 110.503 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.66 155.52 40.36 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.06 137.59 46.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.193 -0.942 . . . . 0.0 108.842 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -59.14 126.91 29.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.914 . . . . 0.0 110.436 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -68.28 -169.16 0.13 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.65 -0.656 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.305 -1.369 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.747 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.979 0 CA-C-O 121.392 0.615 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 1.03 62.63 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.214 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m -59.47 120.81 10.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.572 -1.546 . . . . 0.0 109.262 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 m -116.46 140.03 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.2 t -62.95 118.55 7.96 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.592 -1.317 . . . . 0.0 110.494 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -60.14 -40.03 88.42 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.087 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.569 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -76.16 -39.69 54.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.956 -1.09 . . . . 0.0 112.481 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 12' ' ' THR . 10.6 p -128.31 15.13 6.68 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.691 -1.256 . . . . 0.0 112.312 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 95.2 mt-30 56.1 0.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.846 -1.159 . . . . 0.0 113.301 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.41 HG22 ' SG ' ' A' ' 10' ' ' CYS . 5.8 t -65.37 153.11 42.15 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.962 -1.711 . . . . 0.0 109.434 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 t -114.01 -7.96 13.08 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 121.201 -0.937 . . . . 0.0 109.191 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -97.5 118.64 34.43 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.6 p -145.08 147.42 32.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 p -77.14 -37.18 54.5 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.7 tp -149.06 131.14 15.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 15' ' ' THR . 79.8 m95 -78.94 129.31 34.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 108.925 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.816 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.3 mmt180 -113.65 122.68 47.92 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.222 -0.924 . . . . 0.0 109.514 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -71.94 140.53 49.22 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.029 -1.67 . . . . 0.0 107.536 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.34 160.48 37.01 Favored Pre-proline 0 N--CA 1.506 2.374 0 O-C-N 120.809 -1.182 . . . . 0.0 109.597 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.18 -20.76 15.12 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 121.305 1.337 . . . . 0.0 112.721 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -96.51 -8.32 32.35 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.016 . . . . 0.0 109.554 -179.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.29 27.78 19.44 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.041 -1.623 . . . . 0.0 109.041 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 5.9 m-20 -103.41 109.93 62.79 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.16 134.47 30.36 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.04 1.05 . . . . 0.0 113.357 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.569 HG11 ' ND2' ' A' ' 9' ' ' ASN . 12.5 m -138.35 159.81 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.872 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -81.92 157.86 24.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.851 -1.156 . . . . 0.0 109.952 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.816 ' ND2' HH21 ' A' ' 19' ' ' ARG . 51.1 t-20 -49.79 -42.27 46.36 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.488 -0.758 . . . . 0.0 112.111 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.08 59.15 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.594 -1.316 . . . . 0.0 110.658 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 35' ' ' TYR . 29.5 m -54.85 -45.87 74.6 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.803 -1.186 . . . . 0.0 110.699 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.04 67.07 Favored Glycine 0 C--N 1.284 -2.33 0 C-N-CA 119.162 -1.494 . . . . 0.0 110.983 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.84 -58.99 3.22 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.038 -1.272 . . . . 0.0 111.254 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.7 t80 -60.1 -42.25 94.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.62 -1.3 . . . . 0.0 110.242 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.9 t80 -64.7 -44.8 89.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.984 -1.072 . . . . 0.0 109.172 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.06 -43.69 95.23 Favored 'General case' 0 C--N 1.291 -1.978 0 O-C-N 120.287 -1.508 . . . . 0.0 109.983 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.76 -39.97 63.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.198 -0.939 . . . . 0.0 111.611 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.566 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-70 -114.25 -6.66 12.99 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.1 -1.0 . . . . 0.0 112.358 -176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 35.58 48.9 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.861 -1.15 . . . . 0.0 112.723 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 38' ' ' HIS . 6.2 m -136.45 143.34 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.198 -0.939 . . . . 0.0 108.789 177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -87.82 137.21 32.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.702 -0.624 . . . . 0.0 109.539 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 15.9 mmm180 -107.02 150.47 39.87 Favored Pre-proline 0 N--CA 1.506 2.356 0 O-C-N 121.019 -1.051 . . . . 0.0 108.827 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' THR . 10.2 Cg_endo -63.0 45.8 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 120.567 0.845 . . . . 0.0 113.245 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' ARG . 8.9 mp 45.87 13.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.232 -0.918 . . . . 0.0 111.703 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' PRO . 9.7 t -73.11 -10.1 59.42 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 120.585 -1.322 . . . . 0.0 109.384 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.662 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.8 tpt -97.72 -18.13 19.01 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.348 -0.845 . . . . 0.0 111.12 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -68.9 140.08 55.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.352 -1.467 . . . . 0.0 110.622 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 50' ' ' GLY . 8.0 mtmp? -115.01 128.68 56.42 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.61 6.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 111.282 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.19 167.04 30.66 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.634 -1.291 . . . . 0.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -94.64 114.69 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.322 -1.105 . . . . 0.0 108.188 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.2 167.09 22.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.172 -1.58 . . . . 0.0 110.187 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.31 161.09 36.75 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.508 0.671 . . . . 0.0 109.618 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -146.78 162.2 39.06 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.464 0.649 . . . . 0.0 109.916 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -58.52 140.57 53.91 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.329 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -62.01 127.14 29.98 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.424 -0.798 . . . . 0.0 109.472 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' A' ' 57' ' ' LYS . 41.5 pttt -66.12 -169.36 0.07 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.079 . . . . 0.0 110.054 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.517 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.19 0.519 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.3 -7.66 77.57 Favored Glycine 0 N--CA 1.499 2.838 0 O-C-N 121.142 -0.973 . . . . 0.0 111.142 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -68.31 111.85 4.84 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.85 -1.382 . . . . 0.0 109.734 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.57 142.86 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.3 t -61.83 116.07 4.53 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 120.7 -1.25 . . . . 0.0 110.197 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -60.02 -39.02 84.4 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.479 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -76.24 -39.31 54.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.826 -1.171 . . . . 0.0 112.47 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.7 p -129.49 11.12 5.76 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-N 120.627 1.558 . . . . 0.0 112.654 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.2 tt0 64.2 -2.6 0.57 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.822 -1.174 . . . . 0.0 113.684 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -61.66 159.17 13.84 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 119.431 -2.043 . . . . 0.0 109.019 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -135.59 13.05 3.46 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.923 -1.111 . . . . 0.0 108.688 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 10.5 p -114.79 48.95 1.08 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.528 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.86 148.14 36.68 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.233 -0.917 . . . . 0.0 112.071 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -78.47 -39.05 39.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 3.6 tp -143.42 130.31 20.49 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 15' ' ' THR . 77.9 m95 -81.25 128.24 33.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.972 -1.08 . . . . 0.0 109.067 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.686 HH21 ' ND2' ' A' ' 29' ' ' ASN . 22.8 mmt180 -113.84 115.36 27.62 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.493 -0.754 . . . . 0.0 109.066 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 19.8 tpt180 -66.25 141.55 57.99 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -91.11 151.79 43.46 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 120.868 -1.145 . . . . 0.0 109.29 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -47.28 -24.65 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.288 1.326 . . . . 0.0 113.304 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -90.47 -17.34 27.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.256 -0.903 . . . . 0.0 109.521 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 101.61 23.15 9.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -101.13 111.67 63.84 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.192 -1.181 . . . . 0.0 109.479 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -48.5 129.49 19.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 CA-C-N 120.167 1.095 . . . . 0.0 112.647 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 19' ' ' ARG . 16.1 m -135.98 160.29 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 O-C-N 121.327 -0.858 . . . . 0.0 110.086 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.93 158.85 22.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.03 -1.044 . . . . 0.0 111.211 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.686 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.0 t-20 -44.3 -46.22 9.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.879 -178.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -67.97 -51.29 49.1 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.806 -1.184 . . . . 0.0 111.298 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.1 m -55.42 -46.49 76.66 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.687 -1.258 . . . . 0.0 109.372 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.21 59.62 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 119.327 -1.416 . . . . 0.0 110.425 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -52.83 21.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.069 -1.254 . . . . 0.0 110.344 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 20.2 t80 -59.98 -47.44 85.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.794 -1.191 . . . . 0.0 109.534 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.3 t80 -60.07 -45.17 93.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.98 -47.84 84.16 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 119.922 -1.737 . . . . 0.0 110.308 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.5 mp -70.17 -40.04 74.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.014 -1.054 . . . . 0.0 111.325 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -108.14 -20.09 13.27 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.954 -1.091 . . . . 0.0 112.288 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 35' ' ' TYR . 54.0 tt0 47.49 52.95 11.73 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.347 -1.471 . . . . 0.0 111.188 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -150.02 150.28 13.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -85.92 134.15 33.9 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.121 -0.987 . . . . 0.0 109.265 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -120.09 152.5 54.46 Favored Pre-proline 0 N--CA 1.508 2.448 0 O-C-N 121.265 -0.897 . . . . 0.0 109.863 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.9 Cg_endo -58.94 152.44 58.17 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.094 1.863 . . . . 0.0 113.06 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.0 mp -66.12 24.52 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.491 -0.756 . . . . 0.0 111.082 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -62.42 -14.82 44.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.666 -1.271 . . . . 0.0 109.558 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.509 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 63.5 mmm -100.86 -14.63 17.88 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.285 -0.885 . . . . 0.0 110.404 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.707 HH12 ' HB3' ' A' ' 30' ' ' ALA . 2.4 mmp_? -83.11 136.26 34.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.048 -1.033 . . . . 0.0 112.023 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.7 mtpt -134.54 157.52 46.32 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LYS . 32.1 m-20 -41.73 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.551 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.42 -172.41 19.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.5 mt -90.69 145.16 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 121.136 -1.214 . . . . 0.0 109.251 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -71.96 147.3 47.08 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.05 158.55 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.856 -1.152 . . . . 0.0 110.185 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 55' ' ' ASN . 38.0 ttm180 -152.2 163.37 39.53 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.814 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 74.3 m-80 -49.6 132.72 21.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.137 -0.977 . . . . 0.0 108.502 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -59.01 131.65 51.69 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.705 0.764 . . . . 0.0 111.365 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.17 157.27 3.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.764 -0.585 . . . . 0.0 109.983 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.063 -179.108 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 14.37 40.38 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.144 -1.983 . . . . 0.0 108.144 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -61.09 119.86 9.16 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.28 -1.129 . . . . 0.0 110.42 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.15 140.74 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.1 t -66.16 118.99 10.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.652 -1.28 . . . . 0.0 110.53 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -60.84 -39.97 91.06 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.565 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.483 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.7 m120 -72.33 -39.92 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.941 -1.1 . . . . 0.0 112.234 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 12' ' ' THR . 15.7 p -129.04 7.16 5.49 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 120.37 1.441 . . . . 0.0 112.208 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 7' ' ' CYS . 38.7 tp60 62.23 1.67 0.74 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.327 -1.483 . . . . 0.0 112.74 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.43 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -64.23 154.03 36.23 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.119 -1.613 . . . . 0.0 108.244 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -114.09 -4.27 13.18 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.045 -1.035 . . . . 0.0 109.074 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -103.73 120.56 41.19 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.427 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.4 p -145.43 148.34 33.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.092 -1.005 . . . . 0.0 109.841 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -74.82 -41.16 60.45 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD23 ' NH1' ' A' ' 19' ' ' ARG . 5.9 tp -145.62 131.09 18.71 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CZ3' HG21 ' A' ' 15' ' ' THR . 78.2 m95 -77.87 128.62 34.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.711 HH21 ' ND2' ' A' ' 29' ' ' ASN . 28.3 mmt180 -111.85 178.15 4.41 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -131.99 140.95 49.12 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.83 161.82 32.7 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 120.827 -1.171 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -52.67 -18.02 8.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.455 1.436 . . . . 0.0 113.099 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.3 -2.72 41.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.94 -1.1 . . . . 0.0 109.698 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.48 27.36 27.6 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.6 117.16 65.67 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.207 -1.172 . . . . 0.0 109.69 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -52.1 138.15 53.67 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 CA-C-N 119.987 1.031 . . . . 0.0 112.007 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.1 m -143.28 159.81 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.228 -0.92 . . . . 0.0 110.342 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.7 159.73 21.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.109 -0.995 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.711 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.2 t-20 -47.68 -38.0 14.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.495 -0.753 . . . . 0.0 111.931 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -50.56 18.35 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.611 -1.306 . . . . 0.0 111.488 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' HH21 ' A' ' 42' ' ' ARG . 65.3 m -57.78 -43.12 85.37 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.451 -1.405 . . . . 0.0 109.849 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.57 -53.78 36.72 Favored Glycine 0 N--CA 1.484 1.851 0 C-N-CA 119.315 -1.421 . . . . 0.0 110.421 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.84 -47.61 74.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -1.148 . . . . 0.0 110.734 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.791 -1.193 . . . . 0.0 109.258 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.2 t80 -62.22 -49.09 77.14 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.717 0.77 . . . . 0.0 110.298 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -57.01 -41.74 79.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.046 -1.034 . . . . 0.0 111.704 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.0 -49.97 75.56 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.242 -1.536 . . . . 0.0 109.709 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 73.8 m-70 -101.7 -71.19 0.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER 116.15 55.44 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 124.082 0.953 . . . . 0.0 110.034 -179.591 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -147.43 160.65 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -84.59 153.1 23.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 108.668 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.09 149.95 61.82 Favored Pre-proline 0 N--CA 1.507 2.421 0 O-C-N 120.962 -1.086 . . . . 0.0 109.659 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -48.9 151.6 5.38 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 120.74 0.96 . . . . 0.0 112.779 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.35 7.93 2.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.26 -0.9 . . . . 0.0 109.229 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.4 p -64.13 -12.7 42.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 108.847 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttt -96.48 -7.48 34.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -80.18 131.36 35.7 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.421 0.629 . . . . 0.0 110.665 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 50' ' ' GLY . 61.4 tttm -122.73 139.69 53.7 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 4.37 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.126 -0.984 . . . . 0.0 111.029 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.9 175.99 31.98 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.46 135.63 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.079 -1.248 . . . . 0.0 108.575 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.97 153.73 34.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 108.452 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.03 159.63 41.32 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.948 -1.095 . . . . 0.0 110.057 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -152.3 176.4 11.65 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.371 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.06 135.36 57.75 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.137 -0.977 . . . . 0.0 108.708 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 92.3 mtt180 -70.04 138.4 52.1 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.545 0.688 . . . . 0.0 112.503 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 28.8 ttmt -40.44 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.401 0.619 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 -12.31 44.04 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -69.16 110.45 4.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.661 -1.494 . . . . 0.0 110.018 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -121.21 141.37 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.0 t -61.9 120.18 10.25 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.817 -1.177 . . . . 0.0 110.931 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.698 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.93 -39.18 43.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.324 -0.95 . . . . 0.0 112.344 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.9 p -128.37 12.06 6.44 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 120.117 1.326 . . . . 0.0 112.254 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' CYS . 47.8 mt-30 55.33 -1.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.828 -1.17 . . . . 0.0 112.867 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 10' ' ' CYS . 6.0 t -61.71 155.54 22.49 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.214 -1.554 . . . . 0.0 107.902 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.5 p -131.92 10.92 4.67 Favored 'General case' 0 N--CA 1.509 2.518 0 O-C-N 120.884 -1.135 . . . . 0.0 109.706 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 17.8 p -110.01 47.66 0.94 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.245 -0.909 . . . . 0.0 108.596 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.511 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -77.93 148.52 34.49 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.615 -0.678 . . . . 0.0 111.483 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 p -76.59 -37.92 55.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.564 HD23 HH12 ' A' ' 19' ' ' ARG . 7.3 tp -141.18 131.19 24.59 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 15' ' ' THR . 29.8 m95 -79.72 129.54 34.56 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.905 -1.122 . . . . 0.0 109.163 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.564 HH12 HD23 ' A' ' 17' ' ' LEU . 4.4 mmt-85 -114.17 179.77 3.86 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.49 0.662 . . . . 0.0 109.727 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -131.68 143.56 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.51 159.59 38.56 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.126 -0.984 . . . . 0.0 108.81 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -16.3 5.97 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.238 1.292 . . . . 0.0 112.038 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -94.48 -10.61 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.325 -0.859 . . . . 0.0 109.994 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.35 24.56 26.15 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.8 m-20 -99.21 116.66 64.98 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.467 -1.02 . . . . 0.0 109.276 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -49.42 131.55 27.79 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.023 1.044 . . . . 0.0 112.372 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.53 159.39 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.432 -0.792 . . . . 0.0 110.125 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 p -82.64 154.77 24.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.154 -0.966 . . . . 0.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -50.02 -31.6 13.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.259 -0.901 . . . . 0.0 111.078 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.74 15.92 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.709 -1.244 . . . . 0.0 111.001 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.5 m -58.37 -41.21 84.28 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.398 -1.439 . . . . 0.0 110.454 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.14 64.75 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 118.621 -1.752 . . . . 0.0 109.608 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.99 -51.32 33.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.44 -1.035 . . . . 0.0 110.549 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 15.1 t80 -60.01 -47.55 85.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.123 . . . . 0.0 109.893 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.0 t80 -60.0 -45.48 92.62 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.694 0.759 . . . . 0.0 109.848 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -60.07 -41.31 92.12 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 120.082 -1.636 . . . . 0.0 110.526 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.78 -40.97 72.3 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.851 -1.156 . . . . 0.0 111.989 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -114.78 -10.35 12.41 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.889 -1.132 . . . . 0.0 111.36 -178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.8 tt0 43.55 53.68 5.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.656 -1.277 . . . . 0.0 111.449 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 m -149.13 156.4 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -85.6 124.63 32.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.772 -1.205 . . . . 0.0 109.438 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -96.58 131.96 27.24 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.205 -0.935 . . . . 0.0 109.819 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -45.51 152.2 0.92 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 119.968 1.024 . . . . 0.0 113.01 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.41 5.41 1.78 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.476 -0.765 . . . . 0.0 111.337 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -58.45 -13.22 4.98 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 110.248 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ttt -94.31 -11.23 30.51 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.933 -1.104 . . . . 0.0 110.275 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -79.74 138.01 37.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.787 -1.196 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.3 mtpm? -124.31 142.51 51.21 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.25 2.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.325 -0.859 . . . . 0.0 112.349 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -152.32 171.99 31.55 Favored Glycine 0 N--CA 1.495 2.616 0 O-C-N 120.41 -1.431 . . . . 0.0 109.958 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -87.87 136.17 23.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 O-C-N 121.26 -1.141 . . . . 0.0 109.055 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.78 146.04 31.16 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.74 159.29 42.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.933 -1.104 . . . . 0.0 109.206 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -150.76 156.57 41.56 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -53.77 139.88 31.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.452 -0.78 . . . . 0.0 109.423 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -62.59 131.24 48.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.423 -0.798 . . . . 0.0 110.665 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -70.26 -168.66 0.24 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 111.023 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.629 -0.67 . . . . 0.0 109.756 -179.381 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.355 0.598 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.46 -16.4 10.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -62.89 119.95 10.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -1.205 . . . . 0.0 110.619 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -121.5 140.65 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.5 t -62.86 117.23 6.08 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 120.804 -1.185 . . . . 0.0 110.413 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.7 m -60.19 -39.94 88.27 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 109.988 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.411 ' H ' HG12 ' A' ' 27' ' ' VAL . 4.9 m120 -74.05 -39.16 63.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.879 -1.138 . . . . 0.0 111.666 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 12' ' ' THR . 4.1 p -133.58 16.92 3.97 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.644 -1.285 . . . . 0.0 112.549 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' CYS . 40.8 tt0 51.74 -1.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.576 -1.327 . . . . 0.0 114.151 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 15.2 t -57.07 145.06 32.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 119.339 -2.101 . . . . 0.0 107.996 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.8 p -107.28 -9.76 15.98 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.143 -0.973 . . . . 0.0 109.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 p -98.29 119.37 36.85 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.426 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -145.3 149.12 34.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.154 -0.966 . . . . 0.0 109.492 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 p -78.26 -38.88 41.72 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.8 tp -148.06 131.32 16.49 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.221 -0.924 . . . . 0.0 108.649 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.426 ' CZ3' HG21 ' A' ' 15' ' ' THR . 94.4 m95 -80.82 130.26 34.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.021 -1.05 . . . . 0.0 108.788 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.789 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.0 mmt180 -115.6 121.41 42.54 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.056 -1.027 . . . . 0.0 109.656 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -69.05 141.24 54.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.985 -1.697 . . . . 0.0 106.671 178.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.44 157.47 44.57 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 120.787 -1.195 . . . . 0.0 109.658 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -50.71 -21.87 8.72 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.13 1.22 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.5 tpt -96.08 -12.17 25.24 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -0.927 . . . . 0.0 109.218 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.59 27.27 10.72 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -104.66 110.21 64.04 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.169 -1.195 . . . . 0.0 109.166 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -49.88 131.18 29.1 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 119.98 1.028 . . . . 0.0 112.757 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.4 m -133.95 161.77 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 O-C-N 121.669 -0.645 . . . . 0.0 110.058 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.18 156.21 23.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.825 -1.172 . . . . 0.0 109.443 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.789 ' ND2' HH21 ' A' ' 19' ' ' ARG . 38.7 t-20 -45.7 -46.64 15.01 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.516 -0.74 . . . . 0.0 112.085 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -50.21 71.67 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.683 -1.261 . . . . 0.0 111.048 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.7 m -55.77 -43.14 76.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.607 -1.308 . . . . 0.0 110.075 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.71 72.93 Favored Glycine 0 C--N 1.291 -1.963 0 C-N-CA 119.166 -1.493 . . . . 0.0 110.417 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.34 -51.94 26.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.142 -1.211 . . . . 0.0 110.669 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.94 -41.89 92.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.741 -1.225 . . . . 0.0 109.201 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.711 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.5 t80 -66.32 -48.15 71.21 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-O 121.69 0.757 . . . . 0.0 109.863 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 119.862 -1.774 . . . . 0.0 109.892 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.08 -41.07 71.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 111.165 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -114.52 -10.16 12.59 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 120.835 -1.166 . . . . 0.0 112.007 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.711 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.5 tt0 41.27 55.84 3.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.54 -1.35 . . . . 0.0 112.027 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -149.54 153.47 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 6.9 p30 -83.73 123.64 30.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.91 -1.119 . . . . 0.0 109.587 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 42' ' ' ARG . 9.6 ttt-85 -97.67 132.38 25.18 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -48.42 150.93 5.13 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 CA-C-N 119.86 0.986 . . . . 0.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' MET . 8.4 mp -66.52 -12.59 58.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.661 -0.649 . . . . 0.0 111.807 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -46.49 -13.27 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.863 -1.148 . . . . 0.0 110.473 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' LEU . 26.8 ttt -97.74 -14.0 21.1 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.951 -1.093 . . . . 0.0 112.675 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.586 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 18.4 mmt180 -77.14 149.62 35.62 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.088 -1.633 . . . . 0.0 110.441 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ASP . 80.6 tttt -124.84 142.31 51.52 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' LYS . 73.0 m-20 -42.45 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.245 -0.909 . . . . 0.0 110.543 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.02 -173.21 24.4 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -92.63 143.4 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.252 -1.146 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -80.31 151.68 29.38 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.04 161.78 36.8 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.474 -1.391 . . . . 0.0 111.106 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -144.93 171.34 14.58 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.93 140.01 56.99 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 56' ' ' ARG . 22.6 mmt-85 -56.57 126.48 26.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.317 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 5.0 ttpm? -47.35 165.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.529 -0.732 . . . . 0.0 109.274 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.8 t . . . . . 0 C--N 1.302 -1.461 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.424 0.631 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 3.39 68.09 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 m -63.85 121.44 14.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -1.182 . . . . 0.0 112.09 -178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.66 141.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.7 t -57.7 119.58 6.87 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 120.809 -1.182 . . . . 0.0 111.188 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.02 -39.96 87.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.775 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' H ' HG12 ' A' ' 27' ' ' VAL . 98.1 m-20 -79.28 -38.13 36.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.894 -1.129 . . . . 0.0 111.245 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' GLN . 4.2 p -134.66 23.87 3.68 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.522 -1.361 . . . . 0.0 112.595 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' CYS . 10.4 pt20 27.66 58.98 0.1 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 10.2 t -99.6 140.9 33.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -99.97 -2.84 33.55 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.956 1.707 . . . . 0.0 107.931 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -110.25 119.31 38.82 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.442 HG21 ' CH2' ' A' ' 18' ' ' TRP . 4.9 p -144.36 148.57 34.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.12 -0.988 . . . . 0.0 109.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -76.83 -41.45 44.16 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.974 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.8 tp -145.32 131.5 19.45 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.329 -0.857 . . . . 0.0 108.737 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CH2' HG21 ' A' ' 15' ' ' THR . 81.1 m95 -81.63 129.62 34.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 108.853 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.974 ' NH1' HD23 ' A' ' 17' ' ' LEU . 16.0 mmt180 -112.23 117.17 31.8 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.137 -0.977 . . . . 0.0 108.75 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' SER . 7.6 tpp180 -86.38 85.0 7.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 119.979 -1.701 . . . . 0.0 108.645 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -33.74 157.37 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.813 -0.554 . . . . 0.0 111.923 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.21 -8.85 2.81 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.623 1.549 . . . . 0.0 112.847 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.6 -24.65 19.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.336 -0.852 . . . . 0.0 109.476 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.35 17.07 18.81 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 4.8 m-20 -102.61 129.37 26.08 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.794 -1.415 . . . . 0.0 109.214 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -65.09 135.92 45.81 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 CA-C-N 120.16 1.093 . . . . 0.0 113.588 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.3 m -142.76 161.01 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.389 -0.819 . . . . 0.0 109.29 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 p -83.75 155.95 22.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.921 -1.112 . . . . 0.0 110.046 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.704 ' ND2' HH21 ' A' ' 19' ' ' ARG . 49.4 t-20 -49.54 -35.52 20.58 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.489 -0.757 . . . . 0.0 111.56 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' CB ' HH22 ' A' ' 42' ' ' ARG . . . -68.68 -49.0 62.49 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.596 -1.315 . . . . 0.0 110.216 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' CA ' HH21 ' A' ' 42' ' ' ARG . 56.9 m -61.63 -43.97 97.87 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.955 -1.091 . . . . 0.0 109.881 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.33 -51.3 43.09 Favored Glycine 0 C--N 1.291 -1.925 0 C-N-CA 119.154 -1.498 . . . . 0.0 110.39 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 63.6 mt -69.41 -49.82 51.59 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.161 -1.199 . . . . 0.0 110.736 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.517 -1.364 . . . . 0.0 109.652 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.0 t80 -67.77 -49.66 61.29 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.821 0.819 . . . . 0.0 109.884 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.0 ttpm? -59.98 -40.71 90.04 Favored 'General case' 0 C--N 1.289 -2.03 0 O-C-N 120.209 -1.557 . . . . 0.0 109.873 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.52 -40.02 73.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.403 -0.811 . . . . 0.0 111.515 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -120.08 -4.68 10.04 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.92 -1.113 . . . . 0.0 111.991 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.4 tt0 39.58 55.63 2.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.882 -1.136 . . . . 0.0 111.612 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.55 150.84 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -85.53 129.32 34.85 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.153 -0.967 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.553 HH21 ' CA ' ' A' ' 31' ' ' CYS . 14.1 ptt180 -101.87 151.57 37.99 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.206 -0.934 . . . . 0.0 110.198 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.8 Cg_endo -63.63 149.19 91.52 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.193 1.262 . . . . 0.0 112.334 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.54 9.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.401 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 43' ' ' PRO . 12.2 p -60.97 -15.56 32.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.833 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.24 -8.66 32.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.258 -0.901 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -77.39 125.02 28.66 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' GLY . 23.2 ttpp -122.27 137.02 54.99 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.66 1.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.279 -0.888 . . . . 0.0 111.849 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.17 173.05 32.09 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.563 -1.335 . . . . 0.0 110.377 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mt -90.41 139.88 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.026 . . . . 0.0 108.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -80.28 148.48 30.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.162 -0.961 . . . . 0.0 109.108 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 161.97 35.81 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.742 -1.224 . . . . 0.0 110.466 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -151.08 159.15 44.68 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.48 136.0 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.995 -1.065 . . . . 0.0 109.016 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 122.54 7.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -69.84 -177.05 1.19 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 110.282 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.515 -0.741 . . . . 0.0 109.663 -179.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.371 0.605 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.95 -12.16 50.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -68.08 111.63 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.802 -1.411 . . . . 0.0 109.748 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.56 140.37 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -62.7 116.83 5.55 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.424 -1.423 . . . . 0.0 109.986 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m -60.05 -39.95 87.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.67 -0.644 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.71 -39.36 57.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.949 -1.094 . . . . 0.0 111.965 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -129.01 13.97 6.27 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 120.539 -1.351 . . . . 0.0 112.473 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.8 mt-30 59.18 2.34 0.28 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -62.93 147.09 51.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.788 -1.82 . . . . 0.0 108.302 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -109.75 -10.7 14.78 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 107.337 -1.356 . . . . 0.0 107.337 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.3 p -102.73 125.39 49.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -148.31 152.28 36.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.235 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -74.23 -40.37 62.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 HH12 ' A' ' 19' ' ' ARG . 9.1 tp -146.46 133.1 19.87 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -79.36 124.72 28.68 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.708 -1.245 . . . . 0.0 110.17 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.739 HH12 HD23 ' A' ' 17' ' ' LEU . 2.8 mmt-85 -115.51 128.87 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.924 -0.485 . . . . 0.0 109.745 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.47 145.43 29.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.164 -1.585 . . . . 0.0 107.11 178.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.48 158.73 42.71 Favored Pre-proline 0 N--CA 1.498 1.973 0 O-C-N 120.871 -1.143 . . . . 0.0 108.699 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -49.83 -21.98 6.62 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.495 1.463 . . . . 0.0 113.333 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -92.83 -9.57 39.9 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.987 -1.071 . . . . 0.0 109.825 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.74 21.81 27.67 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.16 113.47 63.98 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -49.02 126.54 15.35 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 CA-C-N 119.923 1.008 . . . . 0.0 112.792 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.04 158.8 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.523 -0.736 . . . . 0.0 109.9 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -82.26 156.84 24.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 0.0 109.02 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -50.0 -34.54 21.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.141 -0.974 . . . . 0.0 110.867 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.3 13.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.716 -1.24 . . . . 0.0 110.478 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.3 -44.0 88.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.827 -1.171 . . . . 0.0 110.083 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.88 -47.89 46.46 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.623 -1.275 . . . . 0.0 110.18 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.3 -51.91 32.62 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.262 -1.14 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.1 t80 -60.12 -40.51 89.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.402 -1.436 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.2 t80 -62.96 -51.48 66.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.261 -0.899 . . . . 0.0 109.921 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.01 -40.95 91.02 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.624 -1.297 . . . . 0.0 110.605 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.97 -47.66 84.92 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.913 -1.117 . . . . 0.0 108.586 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.566 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 57.3 m-70 -106.45 -72.59 0.71 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.566 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 16.5 tt0 114.22 59.01 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.986 0 CA-C-O 122.395 1.093 . . . . 0.0 108.584 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -147.96 160.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -85.26 129.16 34.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.567 -1.333 . . . . 0.0 109.532 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -92.32 130.25 38.31 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.802 . . . . 0.0 109.443 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -46.72 150.65 2.39 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 CA-C-N 120.058 1.057 . . . . 0.0 112.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.1 mp -64.59 -29.9 70.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.579 -0.701 . . . . 0.0 110.711 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 57.3 p -47.16 -15.27 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.736 -1.228 . . . . 0.0 109.471 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' LEU . 11.1 tpt -80.58 -43.97 19.74 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.382 -0.824 . . . . 0.0 110.621 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.03 172.13 14.18 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.196 -0.94 . . . . 0.0 110.91 -178.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -137.89 159.62 41.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.31 -83.27 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.463 -0.773 . . . . 0.0 110.218 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.62 -171.43 26.92 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 mt -88.87 141.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -1.202 . . . . 0.0 109.824 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.28 156.47 28.06 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.93 160.62 39.99 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.813 -1.18 . . . . 0.0 111.691 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -149.99 170.16 19.51 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.981 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -57.45 142.28 44.56 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -64.57 126.14 26.92 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.642 0.734 . . . . 0.0 110.781 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.05 139.91 50.81 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.538 0.685 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.3 -1.572 0 O-C-N 121.558 -0.714 . . . . 0.0 109.648 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.175 0.512 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.22 83.77 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.193 -0.942 . . . . 0.0 111.734 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 m -68.71 118.42 11.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.781 -1.423 . . . . 0.0 110.818 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -121.59 142.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.3 t -59.74 119.37 7.51 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.833 -1.167 . . . . 0.0 110.581 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -60.96 -40.15 92.25 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -77.52 -38.27 49.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.85 -1.156 . . . . 0.0 111.691 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 p -131.0 14.57 5.22 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 120.135 1.334 . . . . 0.0 113.079 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.3 mt-30 57.03 0.01 0.07 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -59.55 157.49 11.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 119.695 -1.878 . . . . 0.0 108.292 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 p -132.33 9.52 4.39 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 120.747 -1.221 . . . . 0.0 108.638 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 80.5 p -114.22 50.93 0.9 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.709 0.766 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.471 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -78.86 149.73 32.4 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 121.272 -0.892 . . . . 0.0 111.157 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.2 p -74.35 -39.02 63.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.768 HD23 HH12 ' A' ' 19' ' ' ARG . 8.7 tp -143.75 132.31 22.33 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' ' 15' ' ' THR . 51.4 m95 -79.09 127.69 32.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.057 -1.027 . . . . 0.0 109.86 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.768 HH12 HD23 ' A' ' 17' ' ' LEU . 5.4 mmt-85 -117.96 131.52 56.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.85 -0.531 . . . . 0.0 110.019 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.5 mmt-85 -84.14 145.23 28.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.327 -1.483 . . . . 0.0 107.605 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -91.03 152.96 44.77 Favored Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.965 -1.084 . . . . 0.0 108.655 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -44.87 -19.87 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.142 1.228 . . . . 0.0 114.082 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.27 -11.42 27.95 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.771 -1.206 . . . . 0.0 110.618 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.71 26.28 10.85 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.6 m-20 -105.92 115.04 62.04 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.165 -1.197 . . . . 0.0 109.2 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -49.0 128.51 19.47 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.084 1.066 . . . . 0.0 113.299 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.62 158.47 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.39 0 O-C-N 121.574 -0.704 . . . . 0.0 109.546 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.77 154.45 24.74 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.065 -1.022 . . . . 0.0 109.095 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -49.48 -41.19 39.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.377 -0.827 . . . . 0.0 111.483 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.12 66.3 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.482 -1.386 . . . . 0.0 110.314 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.9 m -57.42 -44.19 84.42 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.616 -1.303 . . . . 0.0 110.005 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.98 -49.92 64.31 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 118.829 -1.653 . . . . 0.0 109.99 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.82 -50.88 54.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.282 -1.128 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 34.6 t80 -59.98 -45.94 91.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.435 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.9 t80 -61.88 -46.81 87.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.647 . . . . 0.0 110.566 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -60.05 -41.56 92.59 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.15 -1.594 . . . . 0.0 110.585 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.03 -39.96 75.46 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.903 -1.123 . . . . 0.0 111.557 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' GLN . 49.6 m-70 -120.08 9.03 11.06 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 120.901 -1.124 . . . . 0.0 112.171 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 35' ' ' TYR . 21.4 pt20 33.07 41.61 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.688 -1.257 . . . . 0.0 113.682 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -138.53 156.45 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.56 127.86 34.28 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.043 -1.036 . . . . 0.0 110.627 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.56 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.2 OUTLIER -92.68 134.11 28.3 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.128 -0.983 . . . . 0.0 110.397 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -43.79 151.67 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.226 1.284 . . . . 0.0 113.471 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' MET . 4.6 mp -70.04 -29.02 65.95 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.684 . . . . 0.0 110.532 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.9 p -46.75 -12.72 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.298 -0.876 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 44' ' ' LEU . 4.1 tpt -70.0 -47.19 63.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.215 -0.928 . . . . 0.0 109.911 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -83.09 171.43 13.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.306 -0.871 . . . . 0.0 111.324 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 68.4 mttm -139.3 168.01 20.79 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 1.3 p-10 -38.42 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.419 -0.801 . . . . 0.0 111.32 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -69.37 -174.01 10.68 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -89.25 140.42 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.273 -1.133 . . . . 0.0 109.087 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -74.8 147.6 41.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.51 158.06 44.57 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.886 -1.134 . . . . 0.0 110.572 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -147.56 165.54 30.04 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -49.94 138.46 15.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.183 -0.948 . . . . 0.0 108.853 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.83 131.64 47.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 111.618 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -47.84 160.54 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.494 0.664 . . . . 0.0 110.297 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.2 t . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.472 -0.768 . . . . 0.0 109.396 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -16.37 12.57 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -69.99 116.9 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.796 -1.414 . . . . 0.0 110.074 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.37 141.22 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.8 t -61.45 117.83 6.2 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.513 -1.367 . . . . 0.0 110.491 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -59.94 -39.89 87.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.67 -0.644 . . . . 0.0 109.733 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.436 ' H ' HG12 ' A' ' 27' ' ' VAL . 9.6 m120 -74.34 -39.2 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.013 -1.055 . . . . 0.0 111.678 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.31 14.68 3.81 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.451 -1.405 . . . . 0.0 112.987 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.8 mt-30 56.96 0.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.428 -1.42 . . . . 0.0 114.019 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -61.0 148.89 38.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 119.526 -1.984 . . . . 0.0 107.334 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 p -111.34 -9.84 14.25 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -100.22 120.53 40.04 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.422 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.8 p -145.48 149.17 34.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.029 -1.044 . . . . 0.0 109.605 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.3 p -72.85 -40.48 65.67 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.6 tp -147.37 132.55 18.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.383 -0.823 . . . . 0.0 109.024 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.2 m95 -80.02 129.23 34.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 0.0 108.545 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.714 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.8 mmt180 -116.09 119.98 37.59 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.089 -1.007 . . . . 0.0 109.859 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -68.31 141.07 55.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.238 -1.539 . . . . 0.0 107.088 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 155.27 43.12 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.71 -1.244 . . . . 0.0 110.143 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -47.62 -22.36 2.9 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.444 1.43 . . . . 0.0 113.54 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.5 mtp -95.17 -13.06 25.33 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.812 -1.18 . . . . 0.0 109.969 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.87 20.68 18.08 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -102.11 110.99 63.81 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.975 -1.309 . . . . 0.0 110.34 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -48.15 136.55 24.21 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 CA-C-N 120.019 1.043 . . . . 0.0 113.474 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 19' ' ' ARG . 13.8 m -140.12 161.72 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.479 -0.763 . . . . 0.0 109.867 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.27 155.82 22.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.714 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.6 t-20 -43.71 -43.81 6.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.568 -0.707 . . . . 0.0 111.265 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.53 57.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.752 -1.218 . . . . 0.0 111.601 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -58.55 -43.68 89.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.38 -1.45 . . . . 0.0 110.183 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.64 -46.15 47.25 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.107 -1.52 . . . . 0.0 110.14 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -73.05 -52.87 12.72 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.599 -0.941 . . . . 0.0 110.879 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.07 -41.28 92.09 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 120.733 -1.229 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.75 -50.57 68.57 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.321 -0.862 . . . . 0.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.12 -41.88 89.24 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.427 -1.421 . . . . 0.0 110.873 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.6 -48.92 79.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.415 -1.428 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 64.0 m-70 -101.35 -71.71 0.7 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 48.7 tt0 109.67 57.87 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.705 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.28 163.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -85.98 138.39 32.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.952 -1.092 . . . . 0.0 110.269 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -110.25 135.12 20.61 Favored Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 121.227 -0.921 . . . . 0.0 110.161 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -45.37 151.27 1.02 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 CA-C-N 119.798 0.964 . . . . 0.0 112.489 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -71.87 -9.8 58.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 111.595 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LEU . 6.5 t -45.59 -16.75 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.817 -1.177 . . . . 0.0 109.87 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -85.12 -32.11 22.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.361 -0.837 . . . . 0.0 111.824 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -72.92 151.55 41.84 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.895 -1.128 . . . . 0.0 111.324 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.8 mttp -134.06 159.32 41.18 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' LYS . 4.0 m-20 -40.02 -88.11 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.143 -0.973 . . . . 0.0 110.907 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -167.02 18.75 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.36 144.06 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -1.064 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -77.64 152.4 33.86 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.62 162.11 36.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.553 -1.342 . . . . 0.0 111.398 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -151.23 169.78 21.08 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.688 0.756 . . . . 0.0 110.622 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -65.94 140.22 58.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.646 -0.659 . . . . 0.0 110.367 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -66.92 126.82 30.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.524 -0.735 . . . . 0.0 110.365 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -65.15 -173.77 0.14 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.289 -0.882 . . . . 0.0 110.12 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.302 -1.458 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.155 0.502 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -11.19 56.51 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -62.1 120.21 10.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.262 . . . . 0.0 110.386 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.88 141.8 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.7 t -63.86 115.12 4.53 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.634 -1.292 . . . . 0.0 110.294 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -60.08 -40.02 88.13 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.218 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.02 -39.84 68.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.0 112.259 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.2 p -130.37 12.99 5.54 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.532 -1.355 . . . . 0.0 112.184 -178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 7' ' ' CYS . 68.8 mt-30 56.43 1.96 0.08 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.844 -1.16 . . . . 0.0 113.721 176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' SG ' ' A' ' 10' ' ' CYS . 10.7 t -64.97 158.34 25.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 119.973 -1.705 . . . . 0.0 108.356 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 9.31 4.26 Favored 'General case' 0 N--CA 1.512 2.635 0 O-C-N 120.995 -1.066 . . . . 0.0 109.746 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 49' ' ' ASP . 4.9 p -109.55 48.33 0.89 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.045 0.926 . . . . 0.0 108.656 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.534 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.66 148.12 37.06 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.32 -0.863 . . . . 0.0 111.521 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -77.17 -36.82 54.78 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.1 tp -148.56 132.43 17.06 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.427 -0.796 . . . . 0.0 109.29 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CZ3' HG21 ' A' ' 15' ' ' THR . 86.5 m95 -81.6 129.52 34.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.798 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.772 ' NH2' HD22 ' A' ' 29' ' ' ASN . 20.8 mmt180 -116.35 123.53 47.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.318 -0.864 . . . . 0.0 109.059 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -74.49 143.81 44.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.688 -1.882 . . . . 0.0 107.54 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -91.85 156.73 42.36 Favored Pre-proline 0 N--CA 1.503 2.187 0 O-C-N 120.911 -1.118 . . . . 0.0 109.699 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -49.17 -20.55 3.46 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.183 1.255 . . . . 0.0 112.724 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.75 -12.65 23.43 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.053 -1.029 . . . . 0.0 109.682 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.91 8.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -104.72 110.91 65.05 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.061 -1.258 . . . . 0.0 109.567 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -49.37 134.92 32.21 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 119.796 0.963 . . . . 0.0 112.786 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.1 m -140.18 159.95 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.371 0 O-C-N 121.299 -0.876 . . . . 0.0 110.517 178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.36 156.38 23.04 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.204 -0.935 . . . . 0.0 108.624 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.772 HD22 ' NH2' ' A' ' 19' ' ' ARG . 22.7 t-20 -49.57 -42.17 43.64 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.084 -1.01 . . . . 0.0 111.582 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.37 -55.82 28.96 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.432 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 57.6 m -55.5 -48.38 74.72 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.712 -1.243 . . . . 0.0 110.403 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.32 -50.0 48.75 Favored Glycine 0 C--N 1.286 -2.241 0 C-N-CA 119.237 -1.459 . . . . 0.0 110.508 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.26 -54.55 14.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.905 -1.35 . . . . 0.0 110.964 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' CZ ' ' NE ' ' A' ' 42' ' ' ARG . 45.4 t80 -59.92 -46.14 90.33 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.526 -1.359 . . . . 0.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 39' ' ' GLN . 20.9 t80 -59.02 -42.13 89.43 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.197 -0.939 . . . . 0.0 108.999 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -58.54 -46.16 87.41 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.902 -1.123 . . . . 0.0 110.147 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 -57.78 11.3 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.504 -1.372 . . . . 0.0 109.909 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.5 m-70 -96.01 -72.59 0.63 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 1.6 pt20 111.15 56.25 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 0 CA-C-O 122.399 1.095 . . . . 0.0 109.954 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.82 156.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -86.85 141.39 28.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.126 -0.984 . . . . 0.0 109.789 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.58 ' NE ' ' CZ ' ' A' ' 34' ' ' TYR . 20.5 mmt180 -99.04 150.21 36.48 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.662 -1.274 . . . . 0.0 109.391 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -64.77 44.42 0.14 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 119.65 0.911 . . . . 0.0 112.296 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' ARG . 9.3 mp 45.74 25.73 0.3 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 110.89 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.451 ' H ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.38 -12.45 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.739 -1.226 . . . . 0.0 109.95 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mmm -98.53 -14.73 19.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.185 -0.947 . . . . 0.0 111.443 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 8.4 mmt180 -81.69 139.61 34.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.355 -1.465 . . . . 0.0 109.908 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -125.6 -151.99 0.5 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 14' ' ' THR . 42.9 m-20 -89.16 -84.25 0.22 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.417 -1.427 . . . . 0.0 108.112 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.34 -166.06 21.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.2 mt -91.9 144.16 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -1.211 . . . . 0.0 109.987 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -72.13 149.24 44.92 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -140.11 157.57 45.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.916 -1.115 . . . . 0.0 110.662 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 51.1 mtt-85 -147.74 164.54 33.26 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.626 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -57.01 136.59 56.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 108.942 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.73 130.93 48.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.529 -0.732 . . . . 0.0 109.911 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.53 -170.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.304 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.305 -1.344 0 O-C-N 121.444 -0.785 . . . . 0.0 109.021 179.555 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.523 0.678 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.04 -12.97 51.93 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -68.22 114.87 7.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.046 -1.267 . . . . 0.0 110.794 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.11 140.66 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLN . 49.3 t -63.44 119.07 9.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.21 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -62.08 -40.0 94.34 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.451 -0.78 . . . . 0.0 110.458 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.52 ' ND2' HG11 ' A' ' 27' ' ' VAL . 92.6 m-20 -74.43 -40.07 62.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.879 -1.138 . . . . 0.0 111.99 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.1 p -128.57 12.7 6.42 Favored 'General case' 0 N--CA 1.514 2.772 0 O-C-N 120.46 -1.4 . . . . 0.0 112.452 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.6 mt-30 56.36 1.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -63.07 150.57 42.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.72 -1.863 . . . . 0.0 107.526 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -107.87 -10.01 15.62 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -99.32 122.41 42.43 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.452 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.9 p -146.23 149.42 33.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.225 -0.922 . . . . 0.0 109.113 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -72.81 -39.85 66.3 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.629 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.4 tp -145.13 132.2 20.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CZ3' HG21 ' A' ' 15' ' ' THR . 70.6 m95 -78.83 129.11 34.23 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.626 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.629 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.1 mmt-85 -117.98 129.87 55.85 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.821 -0.549 . . . . 0.0 109.905 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 147.66 30.03 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 158.77 40.55 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 120.871 -1.143 . . . . 0.0 109.006 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -53.13 -18.33 9.83 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.036 1.157 . . . . 0.0 111.577 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 94.1 mmm -92.7 -13.66 29.08 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.519 -0.738 . . . . 0.0 109.948 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.28 21.82 14.3 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -102.62 131.51 22.29 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.094 -1.239 . . . . 0.0 110.039 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -64.64 129.17 22.86 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 CA-C-N 120.163 1.094 . . . . 0.0 112.041 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.9 m -133.1 159.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.436 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 p -82.23 152.64 26.3 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.047 -1.033 . . . . 0.0 108.339 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.575 HD22 ' NH1' ' A' ' 19' ' ' ARG . 23.6 t-20 -49.84 -30.3 9.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.246 -0.909 . . . . 0.0 111.393 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -71.95 -51.63 21.11 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.732 -1.23 . . . . 0.0 110.049 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB3' HD22 ' A' ' 9' ' ' ASN . 56.6 m -59.39 -41.8 90.24 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.862 -1.149 . . . . 0.0 109.674 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.49 72.44 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 118.72 -1.705 . . . . 0.0 109.702 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 37' ' ' LEU . 69.7 mt -73.04 -52.99 12.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -1.132 . . . . 0.0 110.584 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.636 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 48.6 t80 -60.02 -43.82 95.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.5 t80 -63.6 -48.52 77.01 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.906 0.86 . . . . 0.0 109.48 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -60.05 -40.81 90.7 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 120.25 -1.531 . . . . 0.0 109.88 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.6 mp -72.78 -45.01 60.79 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.13 -0.981 . . . . 0.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -108.63 -9.56 15.28 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.928 -1.108 . . . . 0.0 111.78 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' TYR . 25.7 tt0 40.91 51.66 3.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.655 -1.278 . . . . 0.0 111.922 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -150.05 156.28 7.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 17.4 p-10 -85.6 124.34 32.04 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.613 -1.304 . . . . 0.0 110.649 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.642 HH11 ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.0 126.29 57.78 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.285 -0.885 . . . . 0.0 109.346 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 45' ' ' THR . 16.1 Cg_exo -48.42 152.05 4.22 Favored 'Trans proline' 0 N--CA 1.487 1.12 0 CA-C-N 120.086 1.067 . . . . 0.0 111.252 178.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.8 mp -65.65 29.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.376 -0.828 . . . . 0.0 111.084 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.87 -17.93 64.65 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.503 -1.373 . . . . 0.0 110.34 -179.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.578 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 89.2 mtp -105.83 -5.38 19.84 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.212 -0.93 . . . . 0.0 111.824 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.654 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.3 mmp_? -82.29 140.49 33.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.6 -1.313 . . . . 0.0 111.356 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -134.72 159.01 42.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -45.35 -83.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.12 -0.988 . . . . 0.0 110.122 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -173.17 16.04 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.19 150.83 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.172 -1.193 . . . . 0.0 109.521 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -79.25 149.73 31.77 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.43 162.61 36.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.65 -1.281 . . . . 0.0 111.25 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -151.73 162.04 41.67 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.534 0.683 . . . . 0.0 110.35 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 49.9 p-10 -50.63 144.97 7.29 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.554 ' CB ' HH11 ' A' ' 56' ' ' ARG . 0.0 OUTLIER -61.54 122.6 15.65 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.237 -0.914 . . . . 0.0 109.965 -178.494 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -61.54 -169.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 109.947 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.488 1.452 0 O-C-N 121.391 -0.818 . . . . 0.0 109.628 -179.592 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.698 0.761 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . 133.4 -22.59 3.93 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.59 -2.204 . . . . 0.0 107.59 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' CH2' ' A' ' 18' ' ' TRP . 13.2 m -47.96 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 15.5 m -63.28 140.26 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 120.105 -1.622 . . . . 0.0 110.976 -177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -60.17 122.89 15.56 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.679 0.752 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -60.1 -40.06 88.32 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.648 -0.657 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.417 HD22 ' HB3' ' A' ' 31' ' ' CYS . 98.8 m-20 -80.28 -38.74 30.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.763 -1.211 . . . . 0.0 112.323 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -130.36 16.89 5.47 Favored 'General case' 0 N--CA 1.511 2.589 0 CA-C-N 120.446 1.475 . . . . 0.0 112.636 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 57.22 -2.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.885 -1.134 . . . . 0.0 113.918 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t -60.06 140.07 57.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.704 -1.873 . . . . 0.0 108.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -103.44 -9.88 19.02 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.3 p -99.33 119.98 38.82 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.481 HG21 ' CH2' ' A' ' 18' ' ' TRP . 3.2 p -147.1 151.23 36.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.262 -0.899 . . . . 0.0 109.518 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 p -75.45 -37.57 60.22 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.898 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.5 tp -147.83 132.58 17.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 5' ' ' THR . 42.1 m95 -81.58 131.68 35.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.035 -1.04 . . . . 0.0 109.976 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.898 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -117.01 123.23 46.39 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -88.8 86.75 7.03 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.006 -1.684 . . . . 0.0 107.887 178.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.76 157.85 0.03 OUTLIER Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 121.615 -0.678 . . . . 0.0 112.213 -177.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -49.14 -9.81 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.747 1.631 . . . . 0.0 113.614 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mtm -99.35 -13.64 19.52 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.076 -1.015 . . . . 0.0 109.919 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 27.22 15.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -105.41 143.64 27.2 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.097 -1.237 . . . . 0.0 108.556 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -74.33 127.22 10.98 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 120.758 0.972 . . . . 0.0 113.305 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.35 156.66 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 O-C-N 121.282 -0.886 . . . . 0.0 108.689 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -81.47 151.86 27.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.617 -1.302 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.707 HD21 HH21 ' A' ' 19' ' ' ARG . 41.6 t-20 -46.81 -32.93 4.03 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.525 -0.734 . . . . 0.0 111.952 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.38 -47.98 37.74 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 120.516 -1.365 . . . . 0.0 110.798 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 9' ' ' ASN . 28.6 m -58.69 -41.94 87.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.84 -1.162 . . . . 0.0 110.605 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.59 -46.18 94.4 Favored Glycine 0 N--CA 1.486 1.995 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.332 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -49.45 58.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.082 -1.246 . . . . 0.0 109.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 31.4 t80 -60.03 -45.48 92.66 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.888 -1.132 . . . . 0.0 109.878 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.2 -46.86 85.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.4 -0.812 . . . . 0.0 110.642 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.08 -42.22 94.16 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.16 -1.588 . . . . 0.0 110.766 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.57 -40.06 73.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.855 -1.153 . . . . 0.0 111.579 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -113.62 -9.86 13.18 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.924 -1.11 . . . . 0.0 112.091 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 tt0 41.18 54.8 3.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.578 -1.326 . . . . 0.0 111.685 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.9 154.17 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.091 . . . . 0.0 109.138 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -100.5 134.64 20.52 Favored Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.274 -0.891 . . . . 0.0 109.824 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 45' ' ' THR . 12.2 Cg_exo -48.47 152.04 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 CA-C-N 119.94 1.014 . . . . 0.0 112.05 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.62 18.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.363 -0.835 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.545 ' H ' ' C ' ' A' ' 43' ' ' PRO . 32.6 p -67.13 -15.93 64.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.637 -1.289 . . . . 0.0 109.648 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.58 -5.28 39.56 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.116 -0.99 . . . . 0.0 109.552 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -80.35 126.39 31.1 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.813 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 19.2 ttmm -125.17 138.61 54.14 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 65.8 t0 -40.21 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.205 -0.934 . . . . 0.0 110.679 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.48 -175.02 21.69 Favored Glycine 0 N--CA 1.494 2.554 0 O-C-N 120.953 -1.092 . . . . 0.0 110.572 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.57 139.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -1.087 . . . . 0.0 108.986 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.59 149.1 44.27 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.81 46.38 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.746 -1.221 . . . . 0.0 110.54 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 54' ' ' ARG . 24.6 mmm-85 -145.81 167.44 23.19 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.521 0.677 . . . . 0.0 109.726 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.98 136.06 57.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 0.0 108.804 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -59.09 130.0 44.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 111.268 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 57' ' ' LYS . 50.8 pttt -64.58 -169.68 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.77 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.487 1.383 0 O-C-N 121.307 -0.871 . . . . 0.0 109.5 -179.691 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.152 0.501 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.19 -9.98 65.03 Favored Glycine 0 N--CA 1.496 2.643 0 O-C-N 121.202 -0.936 . . . . 0.0 111.378 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -66.58 115.38 6.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.774 -1.427 . . . . 0.0 110.505 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.39 140.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -61.88 117.06 5.4 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.856 -1.152 . . . . 0.0 110.888 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.23 -40.0 88.69 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.812 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.591 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -74.52 -39.88 62.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.916 -1.115 . . . . 0.0 112.016 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.3 p -130.29 15.59 5.58 Favored 'General case' 0 N--CA 1.509 2.524 0 O-C-N 120.677 -1.264 . . . . 0.0 112.935 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' CYS . 66.2 mt-30 57.21 -1.79 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.774 -1.204 . . . . 0.0 113.157 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -62.4 151.99 35.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 119.918 -1.739 . . . . 0.0 108.982 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -127.92 6.21 6.03 Favored 'General case' 0 N--CA 1.511 2.617 0 O-C-N 121.052 -1.03 . . . . 0.0 109.215 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.703 ' O ' HD11 ' A' ' 51' ' ' ILE . 10.1 p -105.37 49.84 0.8 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.27 -0.893 . . . . 0.0 108.749 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.522 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -79.36 148.18 32.13 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.339 -0.851 . . . . 0.0 111.993 -176.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.5 p -76.62 -39.88 51.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.9 tp -145.26 132.37 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.3 m95 -81.18 130.31 34.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.0 110.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.748 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.1 mmt180 -117.5 122.49 43.87 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 0.0 108.992 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -70.04 141.25 52.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 119.934 -1.729 . . . . 0.0 106.508 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -86.14 151.58 54.45 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 120.757 -1.214 . . . . 0.0 109.321 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -47.0 -24.67 3.38 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 121.05 1.166 . . . . 0.0 113.055 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 ptm -92.16 -14.64 28.78 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.168 -0.957 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 25.07 8.39 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.12 113.58 62.21 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.263 . . . . 0.0 109.146 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -48.96 135.58 29.25 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.146 1.088 . . . . 0.0 112.868 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG11 ' ND2' ' A' ' 9' ' ' ASN . 4.4 m -138.88 160.13 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.3 153.2 25.96 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.748 ' ND2' HH21 ' A' ' 19' ' ' ARG . 20.7 t-20 -38.58 -43.66 0.89 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.768 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -47.59 48.26 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.783 -1.198 . . . . 0.0 112.184 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' HB3' HD22 ' A' ' 9' ' ' ASN . 56.2 m -61.59 -46.13 91.16 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.442 -1.411 . . . . 0.0 109.582 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.78 -54.73 31.4 Favored Glycine 0 N--CA 1.485 1.966 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.317 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.75 -47.09 82.41 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.16 -1.2 . . . . 0.0 110.069 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.99 -45.17 93.61 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.596 -1.315 . . . . 0.0 110.323 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLN . 13.6 t80 -66.08 -46.91 76.02 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.729 0.776 . . . . 0.0 110.749 -178.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.04 -40.94 91.1 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 120.048 -1.658 . . . . 0.0 109.898 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -71.04 -40.67 71.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.999 -1.063 . . . . 0.0 111.375 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' O ' HG13 ' A' ' 40' ' ' VAL . 84.8 m-70 -117.82 0.98 12.08 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.936 -1.102 . . . . 0.0 112.065 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' TYR . 23.5 pt20 35.11 41.44 0.07 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.943 -1.098 . . . . 0.0 113.131 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.5 m -140.38 155.46 23.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -85.63 159.31 19.87 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.224 -0.922 . . . . 0.0 108.608 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.589 HH11 ' HG2' ' A' ' 42' ' ' ARG . 1.1 ptt-85 -140.31 151.11 63.49 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 120.714 -1.241 . . . . 0.0 109.071 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -45.35 151.03 1.04 Allowed 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 120.614 0.876 . . . . 0.0 112.116 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.4 mp -79.06 -19.94 50.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.296 -0.878 . . . . 0.0 110.54 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 t -50.97 -7.33 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.09 -1.006 . . . . 0.0 109.693 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' LEU . 24.1 ttt -76.51 -39.47 52.96 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 0.0 110.078 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.625 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -75.7 156.23 34.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.005 -178.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -104.24 -172.47 2.11 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.92 3.82 53.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 108.77 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.39 179.79 29.47 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.703 HD11 ' O ' ' A' ' 14' ' ' THR . 15.9 mt -85.95 139.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.701 -1.47 . . . . 0.0 108.464 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.93 144.2 31.11 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.087 0.946 . . . . 0.0 111.292 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.1 155.75 49.5 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -151.32 163.42 38.94 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -56.29 136.54 53.2 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -66.25 134.55 52.91 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.447 -0.783 . . . . 0.0 110.4 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -65.19 -169.67 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.109 -0.994 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.275 -0.891 . . . . 0.0 109.522 -179.225 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.175 0.512 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -10.06 62.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 121.179 -0.951 . . . . 0.0 111.273 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.74 111.82 4.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.755 -1.438 . . . . 0.0 110.388 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.82 140.75 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 41.8 t -61.15 118.12 6.42 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.68 -1.262 . . . . 0.0 110.563 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -60.02 -39.96 87.63 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.097 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.512 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.4 m-20 -77.24 -38.73 50.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.965 -1.084 . . . . 0.0 112.155 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.61 15.82 5.94 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.024 1.284 . . . . 0.0 112.946 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.6 mt-30 55.33 -1.88 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.621 -1.299 . . . . 0.0 113.543 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -62.49 150.35 40.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 119.994 -1.691 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -123.93 4.01 8.72 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.073 -1.017 . . . . 0.0 109.305 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.518 ' O ' HD11 ' A' ' 51' ' ' ILE . 11.1 p -102.76 51.45 0.8 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.375 -0.828 . . . . 0.0 109.895 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.509 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -80.28 145.94 31.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 0.0 111.632 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -74.35 -39.92 62.47 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.666 HD23 ' NH1' ' A' ' 19' ' ' ARG . 5.1 tp -144.28 131.92 21.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.7 m95 -79.24 129.96 34.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.024 -1.047 . . . . 0.0 110.534 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.666 ' NH1' HD23 ' A' ' 17' ' ' LEU . 6.4 mmt-85 -120.11 132.4 55.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.788 -0.57 . . . . 0.0 110.717 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -83.44 145.99 28.66 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.502 -1.374 . . . . 0.0 107.574 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 162.51 28.62 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.036 -1.04 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -50.9 -24.57 14.0 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.179 1.253 . . . . 0.0 113.304 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.14 -6.15 45.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.003 -1.061 . . . . 0.0 109.436 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.38 28.07 18.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -100.13 115.25 65.68 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.147 -1.208 . . . . 0.0 109.724 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -51.25 122.61 10.38 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.191 1.104 . . . . 0.0 112.286 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.6 m -129.99 160.02 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 O-C-N 121.609 -0.682 . . . . 0.0 110.087 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 20.9 p -81.38 154.08 26.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 108.773 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -49.71 -29.93 8.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.157 -0.964 . . . . 0.0 111.749 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 47' ' ' ARG . . . -74.91 -50.95 15.1 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.493 -1.38 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m -58.19 -44.65 88.18 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.535 -1.353 . . . . 0.0 109.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.9 -49.3 67.38 Favored Glycine 0 C--N 1.291 -1.941 0 C-N-CA 119.391 -1.385 . . . . 0.0 110.202 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.71 -48.96 62.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.105 -1.232 . . . . 0.0 109.607 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' OH ' ' NE ' ' A' ' 42' ' ' ARG . 64.4 t80 -60.03 -48.21 82.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.179 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.659 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.4 t80 -60.54 -46.07 91.52 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.739 0.781 . . . . 0.0 110.489 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.0 -40.77 90.36 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 120.1 -1.625 . . . . 0.0 110.093 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.55 -48.27 49.66 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.128 -0.982 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.68 -10.97 15.95 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.068 -1.02 . . . . 0.0 112.27 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.659 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.0 tt0 44.48 51.13 7.98 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.373 -1.454 . . . . 0.0 111.931 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.96 153.88 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 120.843 -1.16 . . . . 0.0 108.472 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 25.9 p30 -84.53 135.48 34.2 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -123.55 128.2 25.28 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.011 -1.055 . . . . 0.0 110.016 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.31 152.47 0.17 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.299 1.333 . . . . 0.0 114.086 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.4 mp -63.98 -9.99 18.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.811 -0.556 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' LEU . 44.4 p -45.12 -21.61 0.08 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.871 -1.143 . . . . 0.0 109.548 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.4 ttt -77.47 -42.71 34.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.481 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 30' ' ' ALA . 26.1 mtt-85 -80.82 162.94 23.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 110.368 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -116.42 -160.14 0.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.494 0.664 . . . . 0.0 109.887 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.3 3.98 54.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.432 -0.792 . . . . 0.0 109.654 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.65 179.72 29.73 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 108.784 -1.727 . . . . 0.0 108.784 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 14' ' ' THR . 4.6 mt -87.15 132.75 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.866 -1.373 . . . . 0.0 108.7 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 142.32 48.24 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.537 -0.727 . . . . 0.0 109.543 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 158.45 44.32 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.565 -1.334 . . . . 0.0 109.708 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -146.34 163.66 34.84 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.777 0.799 . . . . 0.0 110.383 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -55.23 139.29 42.77 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -58.37 123.17 15.21 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.542 -0.724 . . . . 0.0 109.696 -178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.8 -173.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.514 -0.741 . . . . 0.0 110.326 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.301 -1.532 0 O-C-N 121.607 -0.683 . . . . 0.0 109.201 179.808 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.304 0.573 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.69 -11.62 55.7 Favored Glycine 0 N--CA 1.499 2.871 0 O-C-N 121.257 -0.902 . . . . 0.0 111.874 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -64.12 116.41 5.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.561 -1.553 . . . . 0.0 110.025 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -121.95 142.26 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 12' ' ' THR . 20.0 t -60.51 116.78 4.58 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.703 -1.248 . . . . 0.0 110.751 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.669 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -79.17 -38.12 36.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 112.625 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.546 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.2 p -129.21 5.53 5.29 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 121.057 1.753 . . . . 0.0 113.68 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 57.05 46.21 19.65 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.288 -1.507 . . . . 0.0 112.503 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 13.3 t -101.85 148.31 25.47 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -120.39 9.8 11.06 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 121.105 1.775 . . . . 0.0 108.715 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 9.5 p -115.36 49.78 1.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.543 -0.723 . . . . 0.0 109.765 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.3 p -77.49 149.75 34.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.03 . . . . 0.0 111.591 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -78.82 -41.12 31.03 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.848 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.6 tp -142.76 131.01 22.07 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CZ3' HG21 ' A' ' 15' ' ' THR . 83.1 m95 -81.49 130.37 35.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.888 -1.133 . . . . 0.0 110.023 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.848 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -114.92 119.23 35.82 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.359 -0.838 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -70.02 142.86 52.7 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 159.83 37.87 Favored Pre-proline 0 N--CA 1.504 2.238 0 O-C-N 120.931 -1.106 . . . . 0.0 110.109 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.03 -21.55 12.66 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.002 1.135 . . . . 0.0 112.372 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.8 mtt -96.04 -12.9 24.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.0 109.915 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.66 26.32 13.5 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 6.0 m-20 -105.4 109.92 63.75 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.046 -1.267 . . . . 0.0 108.741 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.09 129.58 15.41 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 120.9 1.066 . . . . 0.0 113.523 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.81 162.01 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.526 0 O-C-N 121.532 -0.73 . . . . 0.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.4 p -83.67 155.99 22.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.989 -1.069 . . . . 0.0 111.465 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.708 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.6 t-20 -46.58 -33.61 4.28 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.855 -0.528 . . . . 0.0 111.234 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -54.38 7.77 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.907 -1.12 . . . . 0.0 110.738 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -55.83 -45.32 78.4 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.717 -1.239 . . . . 0.0 109.98 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -49.29 55.46 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 118.794 -1.669 . . . . 0.0 110.048 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.82 -49.58 29.48 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 110.223 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 60.8 t80 -59.99 -48.01 83.49 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.615 -1.303 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.1 t80 -61.02 -47.58 85.77 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.548 0.69 . . . . 0.0 109.817 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.01 -42.9 95.3 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.388 -1.445 . . . . 0.0 110.407 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.03 -40.0 75.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.034 -1.041 . . . . 0.0 111.592 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -117.43 -0.36 11.97 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 121.058 -1.026 . . . . 0.0 112.494 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.2 pt20 36.62 46.39 0.45 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.637 -1.289 . . . . 0.0 113.236 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.0 153.42 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.106 -0.996 . . . . 0.0 108.418 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.2 p30 -86.79 132.29 33.89 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.992 -1.068 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.596 ' NH1' ' CD1' ' A' ' 34' ' ' TYR . 8.7 ptm180 -104.94 150.67 38.97 Favored Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 121.142 -0.974 . . . . 0.0 110.209 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -60.49 151.45 75.01 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 121.371 1.381 . . . . 0.0 112.857 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 10' ' ' CYS . 8.7 mp -72.95 -6.28 44.23 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.52 -0.738 . . . . 0.0 111.283 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 p -54.42 -9.91 0.35 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 109.441 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' LEU . 17.8 ttt -91.79 -21.51 20.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 0.0 110.47 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -76.67 148.15 37.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.036 -1.04 . . . . 0.0 110.157 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -142.05 163.5 32.71 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.194 -0.941 . . . . 0.0 109.791 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.51 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.639 -0.663 . . . . 0.0 112.232 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.33 -171.7 13.06 Favored Glycine 0 N--CA 1.498 2.787 0 O-C-N 121.29 -0.882 . . . . 0.0 111.152 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.8 mt -91.26 147.26 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.645 -0.914 . . . . 0.0 109.758 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.58 144.0 46.2 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.735 . . . . 0.0 110.114 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.82 153.67 48.39 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.778 -1.201 . . . . 0.0 109.962 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.46 162.0 39.92 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.582 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.78 139.32 39.95 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' LYS . 91.9 mtt180 -67.4 134.76 52.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 109.866 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' ARG . 55.2 pttt -55.33 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.155 -0.965 . . . . 0.0 109.849 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.252 -0.905 . . . . 0.0 108.56 179.699 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.274 0.559 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 -12.8 39.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.57 119.97 9.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.115 -1.226 . . . . 0.0 110.739 -178.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -122.51 141.69 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.9 t -66.86 118.27 10.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.47 -1.394 . . . . 0.0 110.803 -179.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.673 -0.642 . . . . 0.0 110.322 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.462 HD22 ' HB3' ' A' ' 31' ' ' CYS . 98.9 m-20 -75.97 -39.25 56.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.967 -1.083 . . . . 0.0 112.897 -177.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 p -129.27 15.18 6.16 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.597 1.544 . . . . 0.0 111.922 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 26.1 mp0 56.85 2.0 0.09 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.947 -1.095 . . . . 0.0 113.392 177.109 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -64.41 149.96 47.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.943 -1.723 . . . . 0.0 108.845 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -111.02 -3.82 15.37 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.236 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 p -107.23 122.26 46.18 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.404 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -146.61 149.5 33.65 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.095 -1.003 . . . . 0.0 109.829 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.942 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.1 tp -146.51 131.45 18.15 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.044 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CZ3' HG21 ' A' ' 15' ' ' THR . 86.6 m95 -81.96 129.95 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.744 -1.223 . . . . 0.0 109.239 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.942 ' NH1' HD23 ' A' ' 17' ' ' LEU . 15.2 mmt180 -112.89 119.06 36.65 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.241 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 21' ' ' SER . 19.7 mmt180 -87.42 87.01 7.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.207 -1.558 . . . . 0.0 109.427 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -34.04 157.68 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.741 -0.599 . . . . 0.0 111.048 -178.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -57.08 -5.92 1.62 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.098 1.199 . . . . 0.0 112.773 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 tpp -95.7 -16.21 22.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.184 -0.948 . . . . 0.0 108.651 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.21 24.57 18.94 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.01 133.52 20.2 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 120.922 -1.34 . . . . 0.0 108.731 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.79 133.52 23.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 119.811 0.968 . . . . 0.0 113.411 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 9' ' ' ASN . 3.6 m -139.77 160.3 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 O-C-N 121.47 -0.769 . . . . 0.0 109.126 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.11 154.61 24.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.597 -1.314 . . . . 0.0 109.298 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.734 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.3 t-20 -49.74 -32.68 14.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.254 -0.904 . . . . 0.0 110.721 -177.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -54.24 14.64 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.53 -1.356 . . . . 0.0 110.094 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' HD22 ' A' ' 9' ' ' ASN . 59.4 m -57.81 -45.54 85.97 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.884 -1.135 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.0 47.13 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.333 -1.413 . . . . 0.0 110.177 -178.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' OD1' ' A' ' 29' ' ' ASN . 49.7 mt -68.13 -49.43 61.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -1.181 . . . . 0.0 110.38 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' CB ' ' NH1' ' A' ' 42' ' ' ARG . 22.0 t80 -60.18 -42.62 95.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.471 -1.393 . . . . 0.0 109.598 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.624 ' O ' ' N ' ' A' ' 39' ' ' GLN . 31.4 t80 -63.99 -49.96 70.42 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.638 0.732 . . . . 0.0 110.211 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.92 -39.92 87.09 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.257 -1.527 . . . . 0.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.04 -49.43 77.7 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.42 -1.425 . . . . 0.0 108.217 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 72.0 m-70 -101.58 -71.36 0.72 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.4 tt0 110.04 56.85 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.029 0 CA-C-O 122.015 0.912 . . . . 0.0 108.962 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.0 159.69 4.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 52.3 p-10 -75.66 151.12 37.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.909 -1.119 . . . . 0.0 109.43 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 34' ' ' TYR . 10.8 ptm180 -123.95 151.27 64.7 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.007 -1.058 . . . . 0.0 109.663 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.1 Cg_endo -61.85 150.7 84.96 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 120.822 1.014 . . . . 0.0 112.369 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 44' ' ' LEU . 11.0 mp -69.39 18.96 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.193 -0.942 . . . . 0.0 110.501 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 43' ' ' PRO . 21.2 p -66.09 -16.04 63.6 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.065 -1.022 . . . . 0.0 108.658 179.116 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 85.4 mmm -99.34 -5.1 30.26 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.533 -0.729 . . . . 0.0 109.53 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -80.57 125.47 30.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 110.828 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' ASP . 86.1 tttt -127.54 146.02 50.66 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' LYS . 21.7 t70 -41.79 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 110.62 -179.002 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.42 -169.96 36.21 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.389 -1.085 . . . . 0.0 110.389 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.92 139.98 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.976 . . . . 0.0 109.99 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.17 155.57 34.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.1 158.99 43.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.039 -1.038 . . . . 0.0 110.226 -179.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -151.25 167.32 28.21 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.99 139.04 28.91 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.274 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -71.91 137.07 47.14 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.688 0.756 . . . . 0.0 112.154 -177.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -44.86 157.86 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.746 -0.596 . . . . 0.0 109.447 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.807 -1.183 . . . . 0.0 108.121 179.301 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 -9.42 66.38 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.066 -1.022 . . . . 0.0 110.976 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -69.33 114.8 7.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.815 -1.403 . . . . 0.0 110.33 -179.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -118.58 141.76 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.8 t -60.05 118.81 6.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.74 -1.225 . . . . 0.0 111.216 -178.384 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.9 m-20 -76.26 -38.91 55.6 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 120.985 -1.072 . . . . 0.0 111.825 -178.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -130.74 10.59 5.12 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.264 1.393 . . . . 0.0 112.975 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.0 mt-30 61.47 4.49 0.99 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 175.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -65.46 163.47 15.79 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.953 -1.717 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -135.37 15.74 3.44 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.027 178.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 28.0 p -120.36 48.48 1.58 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-O 121.882 0.848 . . . . 0.0 108.95 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.504 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -75.11 150.01 38.92 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 121.142 -0.974 . . . . 0.0 112.289 -176.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -75.0 -43.36 54.33 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 5.6 tp -144.21 130.94 20.17 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ3' HG21 ' A' ' 15' ' ' THR . 82.1 m95 -79.85 129.94 34.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 0.0 109.95 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.739 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.4 mmt180 -117.92 122.48 43.39 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 0.0 108.94 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -71.91 142.42 49.48 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 119.656 -1.903 . . . . 0.0 107.595 178.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -90.4 156.68 45.54 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.178 -0.951 . . . . 0.0 108.946 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -49.07 -22.79 5.5 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.037 1.158 . . . . 0.0 112.977 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.9 tpp -92.64 -10.22 38.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 109.606 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.9 26.42 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.3 m-20 -101.32 112.67 65.4 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.476 -1.014 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -50.4 139.11 37.69 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 CA-C-N 120.215 1.112 . . . . 0.0 113.209 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.533 HG11 ' ND2' ' A' ' 9' ' ' ASN . 6.5 m -139.8 161.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.37 0 O-C-N 121.472 -0.767 . . . . 0.0 109.651 178.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.49 154.69 23.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.881 -1.137 . . . . 0.0 109.577 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.739 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.4 t-20 -43.34 -40.79 3.77 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.798 -0.564 . . . . 0.0 112.178 -178.019 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.24 42.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.486 -1.384 . . . . 0.0 111.95 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB3' HD22 ' A' ' 9' ' ' ASN . 53.5 m -57.8 -43.36 85.61 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.646 -1.284 . . . . 0.0 110.514 -178.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.0 -49.48 66.83 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 119.439 -1.363 . . . . 0.0 110.152 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.93 -48.12 69.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.276 -1.132 . . . . 0.0 110.184 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.807 -1.183 . . . . 0.0 108.836 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.6 t80 -68.17 -50.22 55.9 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.71 -0.619 . . . . 0.0 111.499 -178.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG3' HD12 ' A' ' 37' ' ' LEU . 50.4 pttt -60.52 -39.67 88.64 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 119.774 -1.829 . . . . 0.0 110.116 -178.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 36' ' ' LYS . 7.7 mp -64.31 -42.01 96.56 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.013 -1.054 . . . . 0.0 111.784 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -123.02 -3.52 8.58 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.95 -1.094 . . . . 0.0 111.545 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.7 tt0 42.38 56.44 3.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.539 -1.351 . . . . 0.0 111.633 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.39 153.1 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.46 129.55 34.82 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.121 -0.987 . . . . 0.0 110.532 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 42' ' ' ARG . 3.8 ttt-85 -104.45 133.17 20.34 Favored Pre-proline 0 N--CA 1.503 2.189 0 O-C-N 121.27 -0.894 . . . . 0.0 109.421 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.5 Cg_exo -48.35 152.46 3.79 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 120.954 1.103 . . . . 0.0 114.013 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.5 mp -60.9 5.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.753 -0.592 . . . . 0.0 110.428 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PRO . 64.5 p -60.91 -14.53 22.94 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 109.077 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.9 ttt -100.0 -7.78 24.68 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.576 -0.703 . . . . 0.0 109.343 -179.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -78.4 132.39 37.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.409 -0.807 . . . . 0.0 110.712 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -124.23 139.89 53.49 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -43.57 -86.29 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.119 -0.988 . . . . 0.0 110.32 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.95 -174.14 21.42 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 14' ' ' THR . 2.8 mt -91.07 142.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.262 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.97 153.79 30.07 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 165.22 27.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.979 -1.075 . . . . 0.0 111.165 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -149.57 163.15 38.64 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.995 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.87 138.79 57.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.26 -0.9 . . . . 0.0 108.808 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.81 130.33 43.74 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.354 -0.842 . . . . 0.0 110.36 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -58.73 -173.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.404 -0.81 . . . . 0.0 109.587 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 C--N 1.302 -1.484 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.682 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 121.222 0.534 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.36 -8.87 69.33 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 178.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.28 117.76 9.01 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.837 -1.39 . . . . 0.0 110.914 -178.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.62 140.76 43.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.1 t -63.91 117.59 7.2 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.367 -1.458 . . . . 0.0 109.339 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -60.89 -40.0 91.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.321 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.445 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -73.55 -39.22 64.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.005 -178.207 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.33 14.64 6.12 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.003 1.274 . . . . 0.0 112.23 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.4 mm-40 55.08 -0.34 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.874 -1.141 . . . . 0.0 113.097 177.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -60.45 145.25 48.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 119.958 -1.714 . . . . 0.0 107.963 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.18 -6.9 15.4 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.377 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -101.77 120.13 39.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.436 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.5 p -144.49 146.96 32.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.127 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -73.2 -39.97 65.13 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.9 tp -144.62 131.84 20.62 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ3' HG21 ' A' ' 15' ' ' THR . 74.8 m95 -79.6 130.41 35.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.005 -1.059 . . . . 0.0 110.146 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 21.7 mmt180 -111.73 179.66 3.95 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.41 -0.806 . . . . 0.0 109.655 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -130.82 140.13 50.24 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 159.81 36.64 Favored Pre-proline 0 N--CA 1.504 2.242 0 O-C-N 120.828 -1.17 . . . . 0.0 109.376 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -53.94 -13.36 4.4 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 120.957 1.104 . . . . 0.0 112.089 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.5 ttm -98.85 -11.34 21.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.427 -0.796 . . . . 0.0 109.66 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.74 27.87 15.74 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.5 m-20 -102.25 114.01 65.63 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.196 -1.179 . . . . 0.0 109.258 179.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -48.95 137.04 28.71 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 CA-C-N 120.041 1.05 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.9 m -140.89 159.8 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.505 -0.747 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 p -84.14 155.26 22.68 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.795 -1.19 . . . . 0.0 110.032 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.719 ' ND2' HH21 ' A' ' 19' ' ' ARG . 43.0 t-20 -45.04 -35.06 2.78 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.353 -0.842 . . . . 0.0 111.412 -178.042 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.22 16.93 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.855 -1.153 . . . . 0.0 111.555 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' HD22 ' A' ' 9' ' ' ASN . 39.5 m -57.84 -41.56 82.57 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.577 -1.327 . . . . 0.0 110.549 -178.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.94 73.12 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 119.069 -1.538 . . . . 0.0 110.677 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.9 -45.43 70.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.983 -1.304 . . . . 0.0 109.563 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.0 -49.33 78.11 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.942 -1.099 . . . . 0.0 108.939 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.6 t80 -64.18 -47.78 78.51 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.532 0.682 . . . . 0.0 110.539 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.93 -41.85 92.7 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.215 -1.553 . . . . 0.0 110.025 -178.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.15 -39.94 75.07 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.163 -0.96 . . . . 0.0 111.684 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' VAL . 88.7 m-70 -121.54 5.35 10.11 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.943 -1.098 . . . . 0.0 112.286 -178.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER 30.41 48.72 0.06 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.045 -1.034 . . . . 0.0 113.44 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 38' ' ' HIS . 12.1 m -141.95 150.73 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 108.814 178.124 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.07 135.31 34.46 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.852 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.21 149.99 50.52 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.912 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -43.4 152.7 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.159 1.24 . . . . 0.0 113.172 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.0 mp -82.16 4.39 23.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 109.678 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 p -55.03 -6.43 0.13 Allowed 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.549 -0.719 . . . . 0.0 109.526 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -90.43 -18.22 25.8 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.174 -0.954 . . . . 0.0 110.686 -179.532 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.49 137.7 36.49 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.871 -1.143 . . . . 0.0 111.203 -178.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.4 mtpt -128.67 151.31 49.66 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -52.23 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 112.255 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.78 175.28 32.15 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 120.363 -1.461 . . . . 0.0 110.228 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.32 134.39 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.291 . . . . 0.0 108.018 178.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.95 148.69 48.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.78 155.02 48.52 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.727 -1.233 . . . . 0.0 110.273 -179.47 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -150.94 165.71 32.85 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.227 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -52.89 139.44 27.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -62.43 130.02 43.3 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.822 0.82 . . . . 0.0 112.079 -177.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -43.64 162.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.869 -0.52 . . . . 0.0 109.68 178.77 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.488 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.284 0.564 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.32 -22.64 6.03 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.363 -0.836 . . . . 0.0 112.152 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -68.57 113.64 6.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.566 -1.55 . . . . 0.0 110.754 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -119.22 141.14 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 46.2 t -63.62 119.19 9.39 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.774 -1.204 . . . . 0.0 110.505 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -59.98 -40.02 87.69 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.706 -0.621 . . . . 0.0 110.399 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' HG11 ' A' ' 27' ' ' VAL . 15.9 m120 -74.67 -39.8 61.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.849 -1.157 . . . . 0.0 112.148 -177.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.9 p -130.1 9.47 5.28 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.638 -1.289 . . . . 0.0 112.355 -178.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 18.2 tt0 61.66 0.03 0.45 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.573 -1.329 . . . . 0.0 112.498 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -61.25 142.35 56.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 119.756 -1.84 . . . . 0.0 108.739 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -105.11 -8.6 18.33 Favored 'General case' 0 N--CA 1.508 2.449 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.0 p -100.78 121.18 41.25 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.408 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -147.16 150.85 35.76 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.069 -1.019 . . . . 0.0 109.974 -179.08 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -77.43 -39.07 48.16 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 177.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.8 tp -146.7 131.59 18.1 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.45 -0.782 . . . . 0.0 108.983 178.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.408 ' CZ3' HG21 ' A' ' 15' ' ' THR . 78.1 m95 -80.3 129.47 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.757 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.5 mmt180 -115.25 119.11 35.23 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.053 -1.029 . . . . 0.0 109.334 -179.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.26 141.08 55.99 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.065 -1.647 . . . . 0.0 106.648 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.66 156.19 45.22 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.0 -1.063 . . . . 0.0 109.262 -179.351 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.01 -22.15 7.32 Favored 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 120.766 0.977 . . . . 0.0 112.637 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmt -91.43 -10.61 40.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.106 -0.996 . . . . 0.0 110.06 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.21 30.74 10.52 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -110.11 112.16 57.73 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.399 -1.059 . . . . 0.0 109.451 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.92 133.28 39.83 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 CA-C-N 120.093 1.069 . . . . 0.0 113.303 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' ARG . 8.1 m -136.42 160.16 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.419 0 O-C-N 121.681 -0.637 . . . . 0.0 109.483 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.71 155.75 24.14 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.945 -1.097 . . . . 0.0 109.6 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.757 ' ND2' HH21 ' A' ' 19' ' ' ARG . 30.2 t-20 -45.44 -41.82 9.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.589 -0.694 . . . . 0.0 111.425 -178.391 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.43 29.32 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.824 -1.173 . . . . 0.0 110.927 -178.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -58.49 -43.31 88.96 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.804 -1.185 . . . . 0.0 109.954 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.06 20.4 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.339 -1.41 . . . . 0.0 110.07 -178.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.53 -50.37 71.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.512 -0.993 . . . . 0.0 111.336 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.585 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 50.0 t80 -60.75 -43.53 97.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.775 -1.203 . . . . 0.0 109.871 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.2 t80 -61.69 -48.85 78.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.139 -0.976 . . . . 0.0 109.538 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -43.31 95.1 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 120.015 -1.678 . . . . 0.0 110.108 -179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.78 -42.02 70.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.981 -1.074 . . . . 0.0 111.553 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 25.2 m-70 -112.96 -13.81 13.08 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.978 -1.076 . . . . 0.0 111.847 -177.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' TYR . 40.2 tt0 44.72 58.34 3.99 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.532 -1.355 . . . . 0.0 111.715 179.15 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.69 149.81 13.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.77 137.75 32.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.308 -0.87 . . . . 0.0 108.796 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -120.54 151.3 53.81 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -178.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.0 Cg_endo -62.45 152.86 74.71 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 121.472 1.448 . . . . 0.0 113.66 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 HH11 ' A' ' 47' ' ' ARG . 11.0 mp -65.0 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.519 -0.738 . . . . 0.0 111.096 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.2 t -69.91 -17.42 63.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.884 -1.135 . . . . 0.0 109.298 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -100.15 -2.3 34.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.17 -0.956 . . . . 0.0 109.499 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.574 HH11 HD23 ' A' ' 44' ' ' LEU . 73.5 ttt180 -77.69 129.57 35.7 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.427 -0.795 . . . . 0.0 110.404 -179.063 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -130.5 155.49 46.39 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.67 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.82 -1.175 . . . . 0.0 110.794 -178.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.13 -171.82 35.9 Favored Glycine 0 N--CA 1.497 2.722 0 O-C-N 120.934 -1.104 . . . . 0.0 111.164 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.98 146.13 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.546 -0.973 . . . . 0.0 109.346 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.4 155.7 27.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.512 -0.742 . . . . 0.0 109.225 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.19 158.52 44.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 109.706 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 54' ' ' ARG . 3.2 tpm_? -149.93 155.63 40.32 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -55.42 138.38 46.15 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.044 -1.035 . . . . 0.0 108.48 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.92 129.49 41.18 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.306 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.1 -171.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.834 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 -179.785 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.365 0.602 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -10.13 51.69 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -66.19 118.53 10.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.913 -1.345 . . . . 0.0 110.095 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -119.13 137.75 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.1 119.42 7.8 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.664 -1.273 . . . . 0.0 110.063 -179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -59.96 -40.03 87.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.726 -0.609 . . . . 0.0 110.289 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.401 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.5 m-20 -76.76 -39.48 51.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 113.142 -177.254 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.53 11.28 5.76 Favored 'General case' 0 N--CA 1.509 2.499 0 CA-C-N 120.357 1.435 . . . . 0.0 111.881 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 59.76 0.41 0.24 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 112.987 177.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -60.34 142.25 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.032 -1.668 . . . . 0.0 107.961 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -106.12 -9.16 17.09 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -99.34 119.69 38.36 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.446 HG21 ' CH2' ' A' ' 18' ' ' TRP . 5.8 p -143.75 146.35 33.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 109.488 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.4 p -77.35 -40.61 43.41 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.4 tp -144.46 128.31 17.36 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 15' ' ' THR . 88.5 m95 -79.81 130.57 35.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.776 -1.203 . . . . 0.0 109.552 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -115.34 119.16 35.35 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.171 -0.955 . . . . 0.0 109.891 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.46 141.94 53.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 119.881 -1.762 . . . . 0.0 106.733 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 159.17 38.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 -178.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.59 -23.7 15.53 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.678 1.585 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.14 -11.75 29.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.264 -0.898 . . . . 0.0 109.111 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.73 32.92 7.73 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -109.89 110.92 58.91 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.126 -1.22 . . . . 0.0 109.385 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.23 130.28 24.2 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 120.766 0.977 . . . . 0.0 113.663 -179.251 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.6 m -134.57 161.19 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.757 -0.589 . . . . 0.0 109.672 178.511 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.89 157.83 22.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.892 -1.13 . . . . 0.0 110.372 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.672 ' ND2' HH21 ' A' ' 19' ' ' ARG . 40.9 t-20 -48.56 -33.98 10.63 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.38 -0.825 . . . . 0.0 111.762 -177.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.42 -52.04 15.13 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.391 -1.443 . . . . 0.0 111.013 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.3 m -57.06 -46.24 82.61 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.75 -50.1 55.46 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.465 -1.35 . . . . 0.0 110.557 -177.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -70.04 -47.99 59.75 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.214 -1.168 . . . . 0.0 110.781 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.14 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.726 -1.234 . . . . 0.0 109.446 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.3 t80 -64.99 -46.91 79.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.516 0.674 . . . . 0.0 111.102 -178.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -58.79 -43.33 90.47 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.109 -1.619 . . . . 0.0 111.157 -178.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.97 -40.43 75.37 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.913 -1.117 . . . . 0.0 111.819 -178.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.494 ' O ' HG13 ' A' ' 40' ' ' VAL . 60.4 m-70 -117.8 3.96 12.24 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.032 -1.043 . . . . 0.0 111.843 -177.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.631 ' N ' ' O ' ' A' ' 35' ' ' TYR . 20.3 pt20 32.27 43.54 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.936 -1.102 . . . . 0.0 113.227 178.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.0 m -139.55 154.57 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 108.815 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -85.31 150.16 24.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.778 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.16 150.27 73.72 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 120.953 -1.092 . . . . 0.0 109.892 -178.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' THR . 17.3 Cg_exo -46.47 153.14 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.092 1.195 . . . . 0.0 113.702 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' HE ' ' A' ' 47' ' ' ARG . 11.1 mp -75.79 31.78 0.11 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.515 -0.741 . . . . 0.0 109.376 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' PRO . 11.5 t -66.84 -12.43 59.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.0 110.201 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.7 mtt -99.31 -17.6 17.97 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.965 -1.084 . . . . 0.0 110.271 179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.49 HH22 ' NE ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -81.19 129.28 34.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.079 -1.013 . . . . 0.0 111.312 -178.371 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 17.4 tptp -130.36 -140.24 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' LYS . 21.8 m-20 -93.34 -87.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.103 -0.998 . . . . 0.0 109.068 179.011 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.36 -166.67 29.83 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.94 136.8 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.486 -1.008 . . . . 0.0 110.237 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.72 150.01 43.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 158.07 45.12 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.559 -1.338 . . . . 0.0 110.68 -179.075 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -145.57 162.5 37.3 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.878 0.847 . . . . 0.0 110.125 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.36 141.36 56.37 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.546 0.689 . . . . 0.0 110.467 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -66.96 130.43 43.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.021 179.808 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HD2' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -54.78 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.794 . . . . 0.0 109.694 179.037 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.304 -1.397 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.655 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.323 0.582 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -4.54 83.29 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.333 -0.854 . . . . 0.0 111.356 178.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -67.42 119.2 11.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.921 -1.34 . . . . 0.0 111.384 -178.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 m -121.05 141.57 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -63.68 119.66 10.32 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.51 -1.369 . . . . 0.0 110.93 -178.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -60.02 -39.17 84.92 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.809 -0.557 . . . . 0.0 109.735 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' OD1' HG11 ' A' ' 27' ' ' VAL . 11.6 m120 -76.63 -39.35 52.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.951 -1.093 . . . . 0.0 112.257 -178.088 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 p -130.18 13.34 5.64 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 120.278 1.399 . . . . 0.0 112.519 -178.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.7 mp0 56.92 2.07 0.1 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.879 -1.138 . . . . 0.0 113.71 176.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -61.72 158.63 15.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 119.999 -1.688 . . . . 0.0 107.837 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 p -135.54 16.22 3.39 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 120.901 -1.125 . . . . 0.0 109.011 178.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.5 p -117.33 48.96 1.25 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.463 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -80.06 150.62 30.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.053 -1.03 . . . . 0.0 111.143 -176.629 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.47 HG22 HG21 ' A' ' 51' ' ' ILE . 41.5 p -79.96 -34.84 38.37 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 177.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.758 HD23 ' NH1' ' A' ' 19' ' ' ARG . 3.9 tp -142.91 130.44 21.23 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CZ3' HG21 ' A' ' 15' ' ' THR . 54.3 m95 -83.11 126.95 33.14 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.985 -1.072 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.758 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.5 mmt-85 -115.62 125.88 53.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.78 -179.293 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -79.23 143.61 35.15 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 155.26 44.04 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 120.969 -1.082 . . . . 0.0 109.888 -178.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -48.91 -25.05 8.04 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.209 1.273 . . . . 0.0 113.089 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mtp -90.89 -12.63 35.58 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.193 -0.942 . . . . 0.0 109.641 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.91 24.16 13.74 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.88 114.44 65.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.277 -1.131 . . . . 0.0 109.093 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -49.35 131.4 27.16 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 CA-C-N 120.125 1.08 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.497 HG11 ' OD1' ' A' ' 9' ' ' ASN . 5.4 m -138.28 159.28 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.24 -0.913 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.62 154.72 26.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -49.67 -35.94 23.27 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.12 -0.987 . . . . 0.0 110.287 -177.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -58.82 5.16 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.146 -0.971 . . . . 0.0 110.913 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.8 m -55.09 -42.84 73.36 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.773 -1.204 . . . . 0.0 109.777 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.76 -44.27 91.74 Favored Glycine 0 C--N 1.29 -2.0 0 C-N-CA 118.991 -1.576 . . . . 0.0 109.852 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -72.03 -53.26 13.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -1.174 . . . . 0.0 110.579 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.94 -46.62 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.991 -1.068 . . . . 0.0 109.629 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.0 t80 -60.02 -44.18 94.78 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 109.739 -178.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.05 -43.47 95.35 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.292 -1.505 . . . . 0.0 109.386 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -72.28 -41.74 66.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 111.928 -179.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -113.6 -8.55 13.3 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.887 -1.133 . . . . 0.0 112.202 -176.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.623 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.4 pt20 38.53 50.3 1.53 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.563 -1.336 . . . . 0.0 112.847 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -142.51 150.41 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 31.4 p-10 -86.44 134.78 33.67 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.119 -0.988 . . . . 0.0 109.541 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' A' ' 42' ' ' ARG . 11.5 mmm-85 -111.42 151.49 43.28 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.254 -0.904 . . . . 0.0 108.93 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.1 Cg_endo -60.7 153.61 60.92 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 121.67 1.58 . . . . 0.0 113.593 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.0 mp -61.65 7.06 0.05 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 110.107 179.5 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 43' ' ' PRO . 24.2 p -63.75 -12.29 33.8 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.94 -1.1 . . . . 0.0 108.793 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -10.48 26.87 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.983 0.896 . . . . 0.0 108.594 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.53 129.11 36.7 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.506 0.67 . . . . 0.0 109.956 -178.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -123.72 137.96 54.61 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -43.5 -87.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 110.546 -178.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.6 -177.42 27.44 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -92.78 146.21 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.332 -1.099 . . . . 0.0 110.161 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -81.31 148.28 29.48 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.02 166.91 22.91 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.696 -1.252 . . . . 0.0 109.815 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.55 ' HB2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.84 161.42 42.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.409 -0.807 . . . . 0.0 110.668 -178.524 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.68 139.94 52.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.818 . . . . 0.0 109.078 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.521 ' HG2' HH11 ' A' ' 56' ' ' ARG . 5.4 mmt-85 -65.85 132.89 49.76 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 110.927 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -77.26 159.95 29.24 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 58' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.211 -0.931 . . . . 0.0 110.04 -179.269 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 121.295 0.569 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.64 -10.03 60.63 Favored Glycine 0 N--CA 1.495 2.597 0 C-N-CA 120.327 -0.939 . . . . 0.0 110.991 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -69.74 111.83 5.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.724 -1.456 . . . . 0.0 110.078 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.88 140.48 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.3 t -59.94 118.14 5.89 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.554 -1.341 . . . . 0.0 109.545 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -59.93 -39.97 87.32 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.618 -0.676 . . . . 0.0 109.699 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.523 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -75.2 -38.59 60.7 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.937 -1.102 . . . . 0.0 111.495 -178.336 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.634 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.6 p -131.74 17.63 4.73 Favored 'General case' 0 N--CA 1.511 2.622 0 CA-C-N 120.266 1.394 . . . . 0.0 113.133 -178.513 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 40.8 tp60 54.47 -4.01 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.522 -1.361 . . . . 0.0 113.381 176.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' CYS . 12.6 t -57.0 140.02 50.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 119.428 -2.045 . . . . 0.0 108.561 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.1 p -104.03 -9.23 18.97 Favored 'General case' 0 N--CA 1.512 2.67 0 O-C-N 121.091 -1.006 . . . . 0.0 108.439 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -102.99 122.61 44.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 p -146.52 148.93 32.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.228 -0.92 . . . . 0.0 109.412 -179.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -72.12 -40.42 68.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 178.185 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.6 tp -145.5 131.72 19.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -78.35 128.37 33.57 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.025 -1.047 . . . . 0.0 108.955 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' NH1' HD22 ' A' ' 29' ' ' ASN . 3.6 mmt-85 -112.46 -179.53 3.69 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.578 0.704 . . . . 0.0 109.272 179.292 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -130.54 140.53 50.48 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.35 159.97 38.07 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.96 -20.27 17.72 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.368 1.379 . . . . 0.0 112.618 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -8.95 51.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.052 -1.03 . . . . 0.0 109.923 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 27.23 19.22 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.04 118.46 59.18 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.67 -0.9 . . . . 0.0 109.93 -179.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -51.81 132.64 42.62 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 119.967 1.024 . . . . 0.0 111.886 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG11 ' ND2' ' A' ' 9' ' ' ASN . 2.6 m -139.58 159.95 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.339 -0.85 . . . . 0.0 110.813 179.453 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.62 153.27 25.52 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.513 HD22 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -47.6 -37.68 12.99 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.086 -1.009 . . . . 0.0 112.378 -176.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.19 -50.18 61.9 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.493 -1.379 . . . . 0.0 111.489 -178.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' HD22 ' A' ' 9' ' ' ASN . 55.1 m -58.84 -42.83 90.21 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.572 -1.33 . . . . 0.0 111.179 -178.79 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.39 -46.97 91.28 Favored Glycine 0 C--N 1.29 -1.992 0 C-N-CA 119.055 -1.545 . . . . 0.0 110.363 -177.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -69.13 -51.96 33.08 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.341 -1.093 . . . . 0.0 110.238 -179.355 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -60.02 -44.49 94.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.568 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.67 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.1 t80 -64.1 -47.72 78.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.257 -0.902 . . . . 0.0 109.731 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -60.06 -40.83 90.81 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.118 -1.614 . . . . 0.0 110.638 -179.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.14 -40.0 75.04 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.731 -1.231 . . . . 0.0 111.419 -179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -116.51 -4.61 11.74 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.977 -1.077 . . . . 0.0 112.01 -178.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.67 ' N ' ' O ' ' A' ' 35' ' ' TYR . 60.1 tt0 39.74 51.19 2.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.595 -1.315 . . . . 0.0 111.666 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -147.83 154.58 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -86.06 138.8 31.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 109.29 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 11.8 ptt180 -119.0 150.1 48.06 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 121.142 -0.974 . . . . 0.0 109.551 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.7 148.24 66.42 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 120.917 1.078 . . . . 0.0 112.719 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -69.93 -19.81 63.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.529 -0.732 . . . . 0.0 110.969 -179.248 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 81.4 p -44.15 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.366 -0.834 . . . . 0.0 110.136 -178.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.541 ' N ' ' O ' ' A' ' 44' ' ' LEU . 25.3 ttt -80.27 -39.16 29.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.993 -1.067 . . . . 0.0 110.937 -179.178 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.634 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -76.24 164.46 26.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.331 -0.856 . . . . 0.0 110.28 -179.157 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -134.16 159.5 40.68 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.05 -83.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.278 -0.889 . . . . 0.0 110.993 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.67 -173.99 11.77 Favored Glycine 0 N--CA 1.497 2.744 0 O-C-N 120.92 -1.113 . . . . 0.0 110.672 -178.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.3 138.44 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.299 -1.118 . . . . 0.0 109.321 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -77.44 149.26 35.1 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -141.32 156.74 45.82 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.74 -1.225 . . . . 0.0 110.837 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -141.04 165.71 26.8 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.36 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -60.02 136.0 57.88 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -61.76 129.98 43.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 110.444 -178.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -60.93 -179.83 0.15 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.386 -0.821 . . . . 0.0 110.019 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.305 -1.341 0 O-C-N 121.417 -0.802 . . . . 0.0 109.327 -179.88 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.434 0.635 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -12.44 34.14 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -70.04 113.93 7.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.813 -1.404 . . . . 0.0 110.166 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.65 141.53 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.204 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.5 t -58.38 117.78 4.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.556 -1.34 . . . . 0.0 109.849 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -60.0 -38.49 82.79 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.679 -0.638 . . . . 0.0 109.847 179.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.494 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.6 m-20 -80.22 -37.94 32.06 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.965 -1.085 . . . . 0.0 112.058 -177.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -129.05 16.36 6.21 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 120.638 1.563 . . . . 0.0 113.008 -178.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 59.04 -4.16 0.08 Allowed 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 175.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -58.8 150.96 22.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 119.21 -2.181 . . . . 0.0 109.062 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -130.12 18.79 5.46 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 120.988 -1.07 . . . . 0.0 108.52 178.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.2 p -123.86 48.9 1.81 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' HG23 ' A' ' 15' ' ' THR . 3.2 p -78.28 153.04 32.16 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.195 -0.941 . . . . 0.0 111.353 -176.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.3 p -77.41 -39.81 45.76 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.7 tp -142.16 132.56 25.09 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.4 m95 -80.44 128.34 33.47 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.142 -179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.539 ' NH1' HD22 ' A' ' 29' ' ' ASN . 4.3 mmt-85 -116.95 130.95 57.03 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.706 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.8 mmt-85 -83.48 146.18 28.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.382 -1.449 . . . . 0.0 107.121 178.403 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 159.89 36.84 Favored Pre-proline 0 N--CA 1.504 2.256 0 O-C-N 120.829 -1.17 . . . . 0.0 109.907 -179.428 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.53 -23.86 8.32 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.341 1.361 . . . . 0.0 112.82 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.5 mtt -91.07 -9.16 46.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.127 -0.983 . . . . 0.0 109.849 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.27 24.84 25.58 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -179.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.77 117.24 62.08 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.41 -1.053 . . . . 0.0 109.46 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -50.13 126.25 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.261 1.129 . . . . 0.0 113.055 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.7 m -131.07 159.34 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 O-C-N 121.445 -0.784 . . . . 0.0 109.734 178.389 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -82.37 153.45 25.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.946 . . . . 0.0 109.527 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.539 HD22 ' NH1' ' A' ' 19' ' ' ARG . 27.7 t-20 -49.98 -29.98 9.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -0.871 . . . . 0.0 111.293 -177.191 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -53.41 12.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.701 -1.249 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.43 -42.57 87.55 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.644 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.86 -48.61 65.8 Favored Glycine 0 C--N 1.292 -1.902 0 C-N-CA 118.837 -1.649 . . . . 0.0 109.734 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.01 -52.44 24.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.212 -1.169 . . . . 0.0 110.918 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 32.3 t80 -60.01 -44.04 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.774 -1.204 . . . . 0.0 109.671 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.4 t80 -61.87 -46.35 89.79 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 -179.038 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.94 -42.1 93.28 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 119.988 -1.695 . . . . 0.0 110.307 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.29 -43.35 67.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.926 -1.108 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -111.77 -3.22 15.03 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.05 -1.031 . . . . 0.0 112.165 -177.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.8 pt20 37.78 44.88 0.61 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.427 -1.421 . . . . 0.0 112.998 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.76 157.15 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 14.5 p-10 -84.21 127.3 33.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.984 -1.073 . . . . 0.0 109.478 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -100.71 133.33 21.26 Favored Pre-proline 0 N--CA 1.498 1.968 0 O-C-N 121.182 -0.949 . . . . 0.0 110.275 -178.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.2 Cg_exo -51.02 152.11 10.79 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 119.923 1.008 . . . . 0.0 112.667 179.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.91 15.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.424 -0.798 . . . . 0.0 110.05 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.2 p -50.04 -26.13 4.06 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 110.465 -178.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.5 ptm -107.82 -2.9 19.52 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.033 -1.042 . . . . 0.0 110.923 -178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.28 148.06 28.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.27 172.3 15.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.909 . . . . 0.0 109.524 179.75 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.82 -76.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.167 -0.958 . . . . 0.0 111.572 -177.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.55 171.59 37.01 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.2 mt -92.57 146.33 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.52 -0.988 . . . . 0.0 109.627 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.14 147.05 30.24 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.8 159.46 41.28 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.104 -0.997 . . . . 0.0 109.093 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.5 163.7 37.79 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.586 -0.697 . . . . 0.0 109.836 -178.813 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.39 138.25 57.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.405 -0.809 . . . . 0.0 109.602 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.56 132.39 49.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.499 -0.75 . . . . 0.0 109.94 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -68.27 -172.41 0.32 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.505 -0.747 . . . . 0.0 109.976 -179.433 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.26 0.552 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 -10.39 64.67 Favored Glycine 0 N--CA 1.496 2.669 0 O-C-N 121.203 -0.936 . . . . 0.0 110.976 178.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -67.54 117.61 9.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.311 . . . . 0.0 110.199 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.49 140.93 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.7 t -62.75 118.57 7.88 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.563 -1.335 . . . . 0.0 109.879 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 m -61.66 -40.01 93.42 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.465 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.46 -39.57 58.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.134 -178.116 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -128.66 8.13 5.8 Favored 'General case' 0 N--CA 1.512 2.659 0 CA-C-N 120.32 1.418 . . . . 0.0 112.762 -178.063 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' CYS . 41.6 tt0 63.63 -1.28 0.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.561 -1.337 . . . . 0.0 113.544 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -61.48 143.99 54.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.549 -1.969 . . . . 0.0 108.651 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.7 p -108.42 -5.84 16.47 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -101.85 119.54 38.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.445 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.2 p -146.44 150.61 35.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.056 -1.028 . . . . 0.0 110.235 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -78.66 -38.98 38.16 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.4 tp -143.75 131.41 21.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ3' HG21 ' A' ' 15' ' ' THR . 60.1 m95 -81.75 128.85 34.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.889 -1.132 . . . . 0.0 109.014 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.779 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.4 mmt180 -111.62 178.33 4.36 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.266 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -130.83 140.11 50.22 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 159.4 39.33 Favored Pre-proline 0 N--CA 1.502 2.146 0 O-C-N 120.753 -1.217 . . . . 0.0 109.449 -179.4 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.0 -20.29 6.96 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.654 1.569 . . . . 0.0 113.633 -179.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -96.48 -5.92 38.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.839 -1.163 . . . . 0.0 109.885 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.44 17.04 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.32 114.92 65.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.22 -1.165 . . . . 0.0 109.911 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -49.88 134.84 35.63 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 CA-C-N 120.036 1.049 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.597 HG23 ' HB2' ' A' ' 19' ' ' ARG . 3.5 m -140.07 158.01 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -83.16 160.09 21.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.919 -1.113 . . . . 0.0 110.675 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.779 ' ND2' HH21 ' A' ' 19' ' ' ARG . 48.2 t-20 -44.48 -49.99 9.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.858 -0.526 . . . . 0.0 111.829 -178.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.75 70.14 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -59.97 -41.18 91.39 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.6 -1.313 . . . . 0.0 110.136 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.17 65.59 Favored Glycine 0 N--CA 1.487 2.054 0 C-N-CA 118.944 -1.598 . . . . 0.0 109.888 -178.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.41 -48.94 68.44 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 109.859 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -60.06 -43.0 95.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.338 -179.649 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -67.26 -49.1 65.69 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.532 -0.73 . . . . 0.0 109.797 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.98 -40.41 89.01 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.21 -1.556 . . . . 0.0 109.982 -179.525 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.11 -40.38 71.52 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 111.483 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -118.59 3.84 11.72 Favored 'General case' 0 N--CA 1.512 2.632 0 O-C-N 120.868 -1.145 . . . . 0.0 112.049 -178.121 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 15.9 pt20 35.05 40.12 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.724 -1.235 . . . . 0.0 113.552 179.314 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.12 155.09 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 p-10 -81.95 128.07 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.101 -1.0 . . . . 0.0 110.468 -178.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -89.48 150.99 45.54 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.347 -0.846 . . . . 0.0 109.771 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 45' ' ' THR . 18.8 Cg_endo -68.25 149.9 76.19 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 120.677 0.918 . . . . 0.0 111.024 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.65 5.78 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.861 -1.149 . . . . 0.0 110.611 -179.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 43' ' ' PRO . 5.0 t -60.83 -14.93 24.94 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.678 -1.264 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 71.5 mmm -99.83 -5.79 27.93 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.277 -0.89 . . . . 0.0 109.666 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 47' ' ' ARG . 40.5 ttt-85 -80.25 127.21 32.08 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 110.262 -178.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 43.6 mmtm -122.38 140.34 52.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.308 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' LYS . 26.2 t70 -41.21 -87.01 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.18 -0.95 . . . . 0.0 110.655 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.97 -173.9 25.65 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.22 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.33 138.65 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 121.296 -1.12 . . . . 0.0 108.944 178.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -74.98 150.59 38.96 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.32 47.13 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.802 -1.186 . . . . 0.0 109.77 -179.474 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -150.21 167.0 28.18 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.16 143.69 32.32 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.931 0.872 . . . . 0.0 109.998 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 56' ' ' ARG . 17.1 mmt-85 -62.41 125.61 24.51 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.464 0.649 . . . . 0.0 112.223 -177.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 29.6 ttpt -49.19 169.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 61.2 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 120.88 -1.137 . . . . 0.0 109.263 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 120.905 0.383 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.92 -9.07 70.32 Favored Glycine 0 N--CA 1.506 3.338 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -63.16 120.47 11.55 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.753 -1.439 . . . . 0.0 110.077 -178.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.2 142.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.6 t -68.34 117.87 10.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.827 -1.17 . . . . 0.0 110.276 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -59.99 -40.34 88.86 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.285 -0.884 . . . . 0.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.575 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.79 -39.43 56.96 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.426 -1.421 . . . . 0.0 112.457 -178.239 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HH12 ' A' ' 42' ' ' ARG . 13.7 p -128.47 12.36 6.43 Favored 'General case' 0 N--CA 1.515 2.791 0 CA-C-N 120.739 1.608 . . . . 0.0 112.546 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.9 mt-30 57.05 2.99 0.12 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.512 -1.367 . . . . 0.0 114.225 176.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.529 ' CA ' ' HE ' ' A' ' 47' ' ' ARG . 11.9 t -64.65 147.29 53.27 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.346 -1.471 . . . . 0.0 107.823 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.5 p -107.68 -7.69 16.34 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.097 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 p -99.26 119.27 37.63 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.429 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.5 p -145.43 150.17 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.127 -0.983 . . . . 0.0 109.381 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -78.31 -40.51 36.53 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.205 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.5 tp -144.69 128.45 17.27 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.308 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.4 m95 -75.99 130.01 37.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.828 -1.17 . . . . 0.0 109.298 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.2 mmt-85 -117.88 127.17 53.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 -179.03 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 30.1 mmt-85 -77.82 142.46 38.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 119.778 -1.826 . . . . 0.0 106.948 178.236 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.91 156.23 44.56 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.154 -0.967 . . . . 0.0 108.46 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -51.0 -19.79 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 120.853 1.035 . . . . 0.0 113.005 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.0 tpt -92.03 -17.91 24.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 109.795 -179.103 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.43 26.58 8.6 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.92 111.71 60.55 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.51 -0.994 . . . . 0.0 108.689 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.75 129.18 20.12 Favored 'Trans proline' 0 N--CA 1.486 1.081 0 CA-C-N 119.867 0.988 . . . . 0.0 112.615 -179.174 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.3 m -130.5 158.74 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.093 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.56 155.55 25.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 46.5 t-20 -49.89 -35.73 24.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.142 -0.974 . . . . 0.0 111.439 -177.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.4 13.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.852 -1.155 . . . . 0.0 111.094 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -55.42 -40.35 71.36 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.44 -1.412 . . . . 0.0 110.635 -179.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.35 68.76 Favored Glycine 0 C--N 1.288 -2.111 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.765 -177.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.96 -51.43 58.6 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.2 -1.176 . . . . 0.0 110.956 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 62.6 t80 -60.57 -43.53 97.22 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.583 -1.323 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.641 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.2 t80 -61.61 -44.3 97.25 Favored 'General case' 0 C--O 1.2 -1.541 0 CA-C-O 121.552 0.691 . . . . 0.0 109.522 -178.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HZ2' ' CD1' ' A' ' 37' ' ' LEU . 17.0 ttpp -60.1 -42.33 94.44 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.13 -1.607 . . . . 0.0 109.637 179.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.539 ' CD1' ' HZ2' ' A' ' 36' ' ' LYS . 8.2 mp -70.31 -45.59 65.96 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.026 -1.046 . . . . 0.0 111.512 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 77.5 m-70 -115.21 0.32 13.5 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 120.938 -1.102 . . . . 0.0 112.637 -177.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.7 pt20 35.63 49.23 0.51 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.599 -1.313 . . . . 0.0 112.633 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.05 154.07 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.999 -1.063 . . . . 0.0 108.212 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -84.46 125.86 32.74 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 109.06 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.42 150.32 42.6 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.472 -0.767 . . . . 0.0 110.354 -178.899 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -62.34 149.6 90.18 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.309 1.34 . . . . 0.0 112.858 179.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 46' ' ' MET . 15.1 mt -66.9 -8.36 28.64 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.326 -0.859 . . . . 0.0 109.809 -179.684 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -58.14 -9.96 1.69 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.742 -1.224 . . . . 0.0 108.086 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 44' ' ' LEU . 16.4 ttt -101.26 -8.86 21.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HE ' ' CA ' ' A' ' 12' ' ' THR . 34.3 ttt-85 -83.14 139.62 33.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.74 -179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -134.28 159.55 40.63 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -66.57 -73.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.034 -1.041 . . . . 0.0 111.017 -178.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.28 172.29 41.67 Favored Glycine 0 N--CA 1.496 2.635 0 C-N-CA 119.688 -1.244 . . . . 0.0 111.228 -178.507 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -91.96 140.8 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.564 -0.962 . . . . 0.0 109.164 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -80.26 152.13 29.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 109.281 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.5 159.77 41.03 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 122.296 1.046 . . . . 0.0 109.768 -179.568 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -141.01 172.94 11.98 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -62.06 136.51 57.98 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.022 -1.049 . . . . 0.0 108.241 179.263 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 56' ' ' ARG . 2.1 mmt-85 -59.76 128.08 35.15 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.882 0.848 . . . . 0.0 112.146 -177.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 24.8 ttpt -48.18 163.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.043 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 3.9 m . . . . . 0 C--N 1.304 -1.382 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.613 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.372 0.606 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 -11.26 48.31 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 178.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 111.71 8.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.032 -1.276 . . . . 0.0 111.24 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.32 140.15 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 120.0 9.27 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.637 -1.289 . . . . 0.0 110.054 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 m -60.02 -40.06 88.03 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.591 -0.693 . . . . 0.0 110.123 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' H ' HG12 ' A' ' 27' ' ' VAL . 99.6 m-20 -77.66 -38.91 46.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.851 -1.156 . . . . 0.0 112.515 -178.058 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 12' ' ' THR . 11.7 p -130.86 12.75 5.27 Favored 'General case' 0 N--CA 1.514 2.767 0 CA-C-N 120.528 1.513 . . . . 0.0 112.804 -178.045 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 58.81 0.03 0.14 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.827 -1.171 . . . . 0.0 113.924 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.3 t -60.49 144.31 51.56 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 119.742 -1.849 . . . . 0.0 108.325 179.314 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -106.64 -8.86 16.75 Favored 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -99.9 119.98 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.068 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.475 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.2 p -144.01 147.38 33.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 109.222 -179.387 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 p -77.01 -39.66 49.47 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.495 -1.282 . . . . 0.0 107.692 178.657 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.876 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.7 tp -141.53 130.36 23.0 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.132 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CZ3' HG21 ' A' ' 15' ' ' THR . 54.2 m95 -79.8 130.29 35.2 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.669 -1.269 . . . . 0.0 109.574 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.876 ' NH1' HD23 ' A' ' 17' ' ' LEU . 23.7 mmt180 -112.86 177.5 4.61 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.735 . . . . 0.0 109.715 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -130.74 140.94 50.36 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 158.68 37.04 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.27 -0.894 . . . . 0.0 109.895 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -53.52 -16.88 8.4 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.228 1.285 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.7 ttm -93.79 -15.06 25.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.245 -0.91 . . . . 0.0 109.556 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 28.98 9.1 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -107.63 114.18 60.74 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.992 . . . . 0.0 109.122 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.95 141.84 16.27 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.08 1.064 . . . . 0.0 112.979 -179.768 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.3 m -144.1 159.28 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.24 -0.912 . . . . 0.0 109.975 179.185 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.57 157.38 22.34 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 110.557 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.69 ' ND2' HH21 ' A' ' 19' ' ' ARG . 41.0 t-20 -47.3 -35.29 7.73 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.57 -0.707 . . . . 0.0 112.522 -177.132 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.86 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.457 -1.402 . . . . 0.0 110.968 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 34.2 m -59.16 -43.67 92.11 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.572 -1.33 . . . . 0.0 110.072 -179.288 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.62 65.66 Favored Glycine 0 C--N 1.291 -1.933 0 C-N-CA 118.929 -1.605 . . . . 0.0 109.872 -178.363 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.68 -50.05 66.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.137 -1.213 . . . . 0.0 109.977 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 38.9 t80 -60.02 -46.36 89.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.664 -1.272 . . . . 0.0 110.117 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.6 t80 -64.51 -45.65 86.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.386 -0.821 . . . . 0.0 110.742 -178.438 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.15 -40.27 89.27 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.151 -1.593 . . . . 0.0 109.788 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.93 -39.49 66.21 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.235 -0.915 . . . . 0.0 111.72 -179.308 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLN . 80.8 m-70 -118.97 -1.08 11.04 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.916 -1.115 . . . . 0.0 112.338 -177.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.5 pt20 34.66 46.71 0.2 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.865 -1.147 . . . . 0.0 113.699 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -140.01 151.85 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -81.13 117.74 21.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.142 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 42' ' ' ARG . 2.7 ttt-85 -93.06 135.22 26.08 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.488 -0.758 . . . . 0.0 109.488 -179.311 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -43.73 151.51 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 120.846 1.031 . . . . 0.0 113.091 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 44' ' ' LEU . 6.7 mp -67.79 -16.06 63.93 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.489 -0.757 . . . . 0.0 110.718 -178.665 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.0 p -50.62 -10.04 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.237 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' LEU . 10.9 tpt -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 1.1 mpt_? -81.97 157.02 24.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.234 -0.916 . . . . 0.0 111.402 -178.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -112.59 -156.75 0.6 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.079 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -92.51 2.64 56.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.88 -1.138 . . . . 0.0 109.926 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.33 -178.43 29.57 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 178.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mt -82.77 139.32 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.852 -1.381 . . . . 0.0 107.378 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.98 146.94 30.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.853 -1.154 . . . . 0.0 109.997 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.97 160.56 39.46 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.017 -1.052 . . . . 0.0 109.606 -179.55 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.604 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.51 161.8 41.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.272 0.558 . . . . 0.0 109.54 -179.385 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.62 136.46 38.92 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.232 -0.917 . . . . 0.0 108.591 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -69.78 139.73 53.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.672 -178.842 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -63.68 -169.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.852 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.303 -1.416 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 -179.407 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.302 0.572 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -9.98 70.05 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -70.46 118.9 13.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.887 -1.361 . . . . 0.0 110.539 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.503 HG21 ' NE2' ' A' ' 11' ' ' GLN . 32.5 m -120.62 142.96 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' CYS . 10.8 t -78.95 126.97 31.39 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.575 -1.328 . . . . 0.0 109.533 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -177.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -78.52 -38.97 39.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.061 -1.649 . . . . 0.0 109.086 -179.17 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.826 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.3 p -131.47 88.08 2.54 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.784 1.278 . . . . 0.0 108.393 179.056 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' NE2' HG21 ' A' ' 6' ' ' VAL . 37.9 tp60 -37.1 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.812 0 CA-C-N 113.486 -1.688 . . . . 0.0 114.503 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.826 ' N ' ' O ' ' A' ' 10' ' ' CYS . 8.8 t -73.66 174.33 8.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 119.959 -1.713 . . . . 0.0 109.524 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.9 p -129.32 6.24 5.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.391 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -115.66 124.79 51.79 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 p -148.96 151.09 33.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.211 -0.931 . . . . 0.0 109.639 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -80.04 -39.29 30.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.402 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.71 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.0 tp -144.44 130.23 19.23 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -82.48 127.54 33.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 108.946 179.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.71 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.0 mmt-85 -114.0 119.54 37.55 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.39 -0.819 . . . . 0.0 110.847 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -71.43 141.44 50.28 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -90.75 154.49 45.73 Favored Pre-proline 0 N--CA 1.504 2.271 0 O-C-N 120.719 -1.238 . . . . 0.0 109.757 -179.179 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -47.98 -25.93 6.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.028 1.152 . . . . 0.0 112.422 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.2 mtt -90.26 -15.19 31.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.546 -0.721 . . . . 0.0 109.596 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.84 18.72 21.88 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.18 113.18 60.91 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.186 -1.185 . . . . 0.0 109.658 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -49.89 130.34 26.9 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 CA-C-N 120.013 1.04 . . . . 0.0 113.294 179.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.17 153.12 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.338 -0.851 . . . . 0.0 108.959 177.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -78.14 165.63 23.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 33' ' ' LEU . 48.1 t-20 -54.94 -41.63 71.29 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 111.38 -177.262 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.15 -59.7 4.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.746 -1.221 . . . . 0.0 111.118 -178.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -60.09 -39.97 87.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.576 -178.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -50.03 64.62 Favored Glycine 0 N--CA 1.485 1.948 0 C-N-CA 119.164 -1.493 . . . . 0.0 109.748 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 29' ' ' ASN . 74.2 mt -65.41 -51.41 60.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.276 -1.132 . . . . 0.0 110.717 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 22.6 t80 -60.29 -44.69 95.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.001 -1.062 . . . . 0.0 109.803 -179.54 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.3 t80 -60.05 -43.56 95.3 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.284 -179.041 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -60.11 -45.25 93.58 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.119 -1.613 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.05 -42.46 69.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.105 -0.997 . . . . 0.0 111.781 -178.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -111.89 -9.91 14.02 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.995 -1.065 . . . . 0.0 112.185 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 39.57 47.79 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.536 -1.353 . . . . 0.0 113.296 179.43 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.02 151.54 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 176.212 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 38.1 p-10 -85.68 130.02 34.67 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.783 -1.198 . . . . 0.0 110.184 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.57 150.05 39.1 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.331 -0.855 . . . . 0.0 109.894 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 45' ' ' THR . 6.0 Cg_endo -60.4 152.95 63.69 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.304 1.336 . . . . 0.0 112.947 179.257 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.4 mp -62.98 7.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.524 -0.735 . . . . 0.0 109.97 179.681 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.9 p -64.81 -12.84 52.45 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.128 -0.982 . . . . 0.0 109.262 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -97.59 -21.48 17.04 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.204 -0.935 . . . . 0.0 109.06 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.09 145.71 29.1 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -131.01 151.55 51.29 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.295 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.4 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.026 -1.046 . . . . 0.0 109.88 -179.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.78 -176.75 17.31 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mt -91.57 141.92 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.225 -1.162 . . . . 0.0 109.724 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.97 151.94 31.32 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.64 157.64 45.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.264 -0.897 . . . . 0.0 110.323 -179.125 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -145.42 171.19 14.98 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.225 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.06 136.07 57.91 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -60.01 129.03 39.75 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 110.264 -178.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -44.99 161.92 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.57 -0.706 . . . . 0.0 109.112 179.766 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.489 1.518 0 O-C-N 120.979 -1.075 . . . . 0.0 109.595 -179.56 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.449 0.642 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.11 -6.45 83.5 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 178.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -68.27 112.37 5.13 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.982 -1.304 . . . . 0.0 110.8 -178.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.09 140.92 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 176.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.9 t -60.77 118.04 6.14 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 120.886 -1.134 . . . . 0.0 110.05 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.04 -40.0 87.85 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.115 -179.329 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.575 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 5.1 m120 -75.57 -39.53 58.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.771 -1.171 . . . . 0.0 112.363 -178.627 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.8 p -127.95 11.69 6.62 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.441 1.473 . . . . 0.0 113.003 -178.537 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.1 mt-30 56.79 -0.61 0.06 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.37 -1.456 . . . . 0.0 113.734 176.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.7 t -63.65 157.16 24.73 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 119.821 -1.799 . . . . 0.0 108.494 179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -128.83 6.65 5.56 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 121.039 -1.038 . . . . 0.0 110.572 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 7.9 p -107.8 48.97 0.82 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.948 -1.095 . . . . 0.0 109.165 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.512 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -74.35 146.31 43.16 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 121.21 -0.931 . . . . 0.0 111.857 -176.922 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -72.93 -41.87 64.08 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.487 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.964 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.8 tp -142.67 131.52 22.86 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.512 ' CZ3' HG21 ' A' ' 15' ' ' THR . 61.5 m95 -79.63 126.98 31.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.074 -1.016 . . . . 0.0 109.9 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.964 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.7 mmt180 -108.33 177.22 4.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.302 -0.874 . . . . 0.0 108.921 179.388 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -131.1 139.64 49.89 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.694 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -92.74 156.23 41.09 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 120.909 -1.119 . . . . 0.0 109.448 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.08 -14.62 1.51 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.25 1.3 . . . . 0.0 112.597 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.8 OUTLIER -94.92 -11.59 28.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 109.948 -179.658 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.38 31.1 9.9 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -108.52 114.45 59.02 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.513 -0.993 . . . . 0.0 109.293 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -50.57 140.6 35.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 CA-C-N 120.192 1.104 . . . . 0.0 112.944 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.0 m -143.54 159.44 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.48 -0.762 . . . . 0.0 109.96 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -84.14 156.78 21.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.074 -1.016 . . . . 0.0 109.575 179.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.659 ' ND2' HH21 ' A' ' 19' ' ' ARG . 47.6 t-20 -45.25 -40.44 7.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 111.812 -178.399 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.2 39.21 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.855 -1.153 . . . . 0.0 111.475 -178.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.9 m -56.71 -39.06 73.2 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 110.57 -178.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.85 -49.23 80.1 Favored Glycine 0 N--CA 1.487 2.092 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.035 -178.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 mt -69.5 -47.47 63.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.199 -1.177 . . . . 0.0 110.296 -179.314 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 29.7 t80 -60.04 -40.04 87.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.769 -1.207 . . . . 0.0 109.132 -179.659 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 39' ' ' GLN . 57.3 t80 -59.95 -44.68 94.26 Favored 'General case' 0 C--O 1.199 -1.593 0 O-C-N 121.531 -0.731 . . . . 0.0 110.02 -178.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -56.27 -47.12 79.21 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 120.139 -1.601 . . . . 0.0 110.159 -179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.8 mp -71.95 -35.89 69.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.4 -1.437 . . . . 0.0 109.618 178.735 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.972 ' O ' ' N ' ' A' ' 40' ' ' VAL . 62.2 m-70 -112.24 42.79 1.72 Allowed 'General case' 0 C--O 1.192 -1.967 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 35' ' ' TYR . 50.5 tt0 -31.3 59.28 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 CA-C-O 122.156 0.979 . . . . 0.0 110.66 -179.216 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.972 ' N ' ' O ' ' A' ' 38' ' ' HIS . 22.8 m -160.45 174.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.688 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 30.2 p-10 -80.23 128.63 33.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 108.338 178.665 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.903 ' H ' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -97.81 154.65 37.76 Favored Pre-proline 0 N--CA 1.503 2.176 0 O-C-N 121.167 -0.958 . . . . 0.0 112.006 -177.495 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 45' ' ' THR . 29.0 Cg_endo -70.42 150.6 64.46 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.355 1.37 . . . . 0.0 111.551 178.577 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.36 15.55 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.356 -0.84 . . . . 0.0 110.881 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.0 p -66.35 -18.63 65.47 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.813 -1.179 . . . . 0.0 109.551 179.548 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -99.07 -2.51 36.92 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.149 -0.97 . . . . 0.0 110.675 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 41.8 ttt-85 -83.17 129.96 35.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.194 -0.941 . . . . 0.0 111.281 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -125.99 146.32 49.93 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.364 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.12 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.807 -1.183 . . . . 0.0 110.51 -178.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.22 -173.41 29.18 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 14' ' ' THR . 1.9 mt -91.69 135.53 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.303 -1.116 . . . . 0.0 110.256 -179.689 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.26 152.74 43.0 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.67 158.18 43.92 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.74 -1.225 . . . . 0.0 111.397 -178.581 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 60.5 mtt-85 -150.93 170.01 20.37 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.949 179.473 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -54.8 135.62 47.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.07 130.27 46.18 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.371 -0.83 . . . . 0.0 111.398 -177.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 33.0 ttpt -48.42 156.22 0.44 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.64 -0.663 . . . . 0.0 109.284 178.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 57' ' ' LYS . 14.0 p . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.403 0.62 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 0.5 75.86 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.419 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' CZ3' ' A' ' 18' ' ' TRP . 10.2 m -66.79 119.49 11.92 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.709 -1.465 . . . . 0.0 110.896 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.11 141.84 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.007 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.0 t -62.58 115.36 4.2 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.528 -1.357 . . . . 0.0 110.729 -179.509 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -60.05 -40.03 88.0 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 109.489 179.443 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.506 ' ND2' HG11 ' A' ' 27' ' ' VAL . 99.7 m-20 -75.29 -39.52 59.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.871 -1.143 . . . . 0.0 112.581 -178.191 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 p -128.26 11.43 6.42 Favored 'General case' 0 N--CA 1.509 2.502 0 CA-C-N 120.392 1.451 . . . . 0.0 112.238 -178.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 78.5 mt-30 61.42 2.59 0.67 Allowed 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.535 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -64.41 160.03 20.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 119.632 -1.918 . . . . 0.0 109.369 -179.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -133.6 11.49 4.07 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.103 -0.998 . . . . 0.0 108.99 178.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 19.5 p -114.39 48.22 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.492 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.9 p -76.06 148.99 37.57 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 121.053 -1.029 . . . . 0.0 111.35 -176.608 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -79.55 -37.82 35.59 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 177.522 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.6 tp -144.48 132.15 21.16 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.508 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CZ3' HG21 ' A' ' 15' ' ' THR . 84.5 m95 -84.49 127.59 34.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.717 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.754 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.4 mmt180 -114.18 119.04 35.73 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.465 -0.772 . . . . 0.0 109.755 -179.27 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -70.39 143.2 51.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 119.843 -1.785 . . . . 0.0 107.432 177.561 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 156.25 40.85 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 120.934 -1.104 . . . . 0.0 110.097 -179.297 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.81 -23.38 8.46 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.591 1.528 . . . . 0.0 113.09 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.1 ttt -94.47 -15.33 24.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.067 -1.02 . . . . 0.0 109.869 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 22.69 9.9 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.406 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -100.31 114.07 65.6 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.364 . . . . 0.0 109.76 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -52.59 130.94 38.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 CA-C-N 120.159 1.092 . . . . 0.0 112.324 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 ' ND2' ' A' ' 9' ' ' ASN . 6.4 m -134.76 160.87 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.445 -0.784 . . . . 0.0 109.67 178.34 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -82.74 160.29 22.36 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.205 -0.934 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.754 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.3 t-20 -47.42 -41.77 20.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.744 -0.598 . . . . 0.0 112.218 -177.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.39 29.48 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.709 -1.244 . . . . 0.0 110.681 -178.177 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' NE ' ' A' ' 42' ' ' ARG . 55.9 m -56.03 -52.69 63.34 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.648 -1.283 . . . . 0.0 108.919 179.608 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.36 -59.92 2.5 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 37' ' ' LEU . 90.3 mt -60.76 -50.86 71.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -1.038 . . . . 0.0 111.974 -178.718 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 38.8 t80 -59.94 -37.1 78.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.786 -1.196 . . . . 0.0 109.698 -179.407 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' GLN . 30.8 t80 -59.49 -49.48 77.64 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.26 0.552 . . . . 0.0 110.335 -178.415 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.71 86.9 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.632 -1.293 . . . . 0.0 109.976 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.4 mp -59.09 -45.97 89.48 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 108.623 -178.586 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 46.5 m-70 -108.97 -72.46 0.72 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.183 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 51.1 tt0 114.59 61.14 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 CA-C-O 122.115 0.96 . . . . 0.0 108.514 -179.106 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.56 162.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.9 p30 -81.52 133.86 35.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.015 -1.053 . . . . 0.0 108.796 179.168 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NE ' ' SG ' ' A' ' 31' ' ' CYS . 24.4 ptt180 -92.54 150.08 39.24 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 120.834 -1.166 . . . . 0.0 109.4 -179.12 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.95 151.16 82.62 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 120.639 0.892 . . . . 0.0 111.827 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.1 mp -68.04 0.37 3.65 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.318 -0.864 . . . . 0.0 110.483 -179.257 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -61.18 -16.55 45.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.642 -1.286 . . . . 0.0 108.466 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 ttt -97.89 -0.95 44.04 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.254 -0.904 . . . . 0.0 109.865 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -80.16 129.95 34.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ASP . 53.9 tttm -123.38 138.36 54.62 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 2.1 p-10 -39.37 -90.86 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.51 -0.743 . . . . 0.0 110.95 -178.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -72.11 -174.08 21.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.328 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -91.36 144.45 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.176 -1.19 . . . . 0.0 109.279 179.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.47 152.65 28.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.568 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.93 38.64 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.927 -1.108 . . . . 0.0 109.784 -179.506 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -151.28 175.51 12.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.832 -0.543 . . . . 0.0 109.949 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.03 137.31 58.24 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -68.15 135.23 51.79 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.907 0.861 . . . . 0.0 111.752 -178.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -50.09 149.71 2.69 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.74 -0.6 . . . . 0.0 110.049 179.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.497 1.915 0 O-C-N 121.352 -0.843 . . . . 0.0 108.733 179.485 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 1 O4'-C1'-N19 111.201 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 0 O4'-C1'-N19 110.3 3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.888 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.027 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.555 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.445 1.917 1 O4'-C1'-N19 112.477 5.847 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.465 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.988 3.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.421 ' H71' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.265 0 O4'-C1'-N19 110.966 3.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.561 1 O4'-C1'-N19 111.642 4.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 1 O4'-C1'-N19 111.2 4.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.882 5.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.827 0 O4'-C1'-N19 110.339 3.174 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.502 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.699 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 111.187 4.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.405 ' O2 ' ' H2 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.005 1 O4'-C1'-N19 111.34 4.426 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.753 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.214 3.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.258 1 O4'-C1'-N19 111.373 4.466 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.173 1 O4'-C1'-N19 111.655 4.819 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.559 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 111.897 5.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.455 ' OP1' ' CD2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.428 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.45 2.33 1 O4'-C1'-N19 112.209 5.511 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.534 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.018 0 O4'-C1'-N19 110.689 3.611 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.515 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O4'-C1'-N19 112.353 5.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.81 0 C3'-C2'-C1' 107.246 3.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.195 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.533 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.051 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.432 ' C6 ' ' N6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.501 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.432 ' N6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.363 1 O4'-C1'-N19 111.193 4.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.211 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 5' ' ' THR . 8.5 ptpp? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.859 0.838 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' HG3' ' HE1' ' A' ' 18' ' ' TRP . 30.6 ttp180 -67.4 -40.0 85.6 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.449 0.642 . . . . 0.0 109.59 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.59 118.34 2.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.495 -0.753 . . . . 0.0 110.521 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.21 -11.44 60.71 Favored Glycine 0 N--CA 1.495 2.588 0 O-C-N 121.284 -0.885 . . . . 0.0 111.636 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 6.9 m -63.25 119.14 9.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.5 -1.588 . . . . 0.0 109.485 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.7 141.74 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.554 ' O ' ' N ' ' A' ' 11' ' ' GLN . 31.8 t -62.94 115.26 4.23 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.646 -1.284 . . . . 0.0 110.452 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -60.3 -39.98 88.88 Favored 'General case' 0 C--N 1.296 -1.733 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.74 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -74.99 -39.11 61.44 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.893 -1.13 . . . . 0.0 111.808 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.8 p -130.1 14.03 5.7 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.175 1.352 . . . . 0.0 112.738 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.4 mt-30 57.21 1.16 0.09 Allowed 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.583 -1.323 . . . . 0.0 114.0 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 7' ' ' CYS . 6.5 t -61.2 156.86 17.44 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 119.897 -1.752 . . . . 0.0 108.557 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -133.51 10.01 4.02 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.876 -1.14 . . . . 0.0 108.825 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 30.2 p -112.47 47.52 1.07 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.499 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -75.76 149.03 38.08 Favored 'General case' 0 C--N 1.286 -2.193 0 O-C-N 121.082 -1.011 . . . . 0.0 111.285 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.417 HG22 HG21 ' A' ' 51' ' ' ILE . 25.2 p -75.68 -39.39 57.62 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.888 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 7.8 tp -141.02 132.52 26.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.499 ' CZ3' HG21 ' A' ' 15' ' ' THR . 43.5 m95 -80.98 126.27 31.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.997 -1.064 . . . . 0.0 109.657 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.634 ' NH1' HD23 ' A' ' 17' ' ' LEU . 7.7 mmt-85 -110.49 177.9 4.54 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 18.0 tpt180 -130.56 141.93 50.47 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.9 160.08 38.85 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 120.986 -1.071 . . . . 0.0 109.475 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.51 -17.26 16.32 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.43 1.42 . . . . 0.0 112.479 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.3 ttt -93.85 -12.02 29.9 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 109.88 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 94.52 21.81 25.78 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -99.01 115.05 65.99 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 0.0 108.822 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -49.97 139.08 34.31 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 CA-C-N 120.229 1.118 . . . . 0.0 112.544 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG11 ' ND2' ' A' ' 9' ' ' ASN . 2.3 m -140.77 159.64 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.3 -0.875 . . . . 0.0 110.418 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.06 155.06 24.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.198 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.513 HD22 ' NH1' ' A' ' 19' ' ' ARG . 24.2 t-20 -49.43 -31.34 9.55 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.307 -0.87 . . . . 0.0 110.636 -177.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.62 -53.81 12.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.749 -1.219 . . . . 0.0 110.552 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -58.87 -41.74 87.8 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.825 -1.172 . . . . 0.0 110.086 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.85 -49.52 70.32 Favored Glycine 0 C--N 1.292 -1.913 0 C-N-CA 118.927 -1.606 . . . . 0.0 110.185 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.0 mt -69.87 -49.71 49.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.286 . . . . 0.0 110.438 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -60.0 -45.83 91.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.921 -1.112 . . . . 0.0 109.466 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 39' ' ' GLN . 34.1 t80 -60.93 -47.59 85.7 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.563 0.697 . . . . 0.0 110.083 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -60.0 -40.37 88.95 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 120.271 -1.518 . . . . 0.0 109.919 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.5 -39.98 67.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.993 . . . . 0.0 111.605 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.455 ' CD2' ' OP1' ' C' ' 122' ' ' ' DT' . 77.7 m-70 -113.34 -12.46 13.02 Favored 'General case' 0 N--CA 1.509 2.521 0 O-C-N 120.848 -1.157 . . . . 0.0 111.801 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.673 ' N ' ' O ' ' A' ' 35' ' ' TYR . 33.4 tt0 43.29 57.02 3.99 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.44 -1.413 . . . . 0.0 111.429 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -150.12 154.82 8.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -84.15 120.46 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.787 -1.195 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 31.4 ttp180 -89.92 139.52 27.54 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.802 -0.561 . . . . 0.0 109.722 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -60.05 152.45 65.13 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 120.619 0.879 . . . . 0.0 112.337 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.8 mp -69.22 -1.16 7.25 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.605 -0.685 . . . . 0.0 110.77 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -60.97 -14.88 25.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.746 -1.222 . . . . 0.0 109.63 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.535 ' SD ' ' NH1' ' A' ' 42' ' ' ARG . 20.4 ttt -98.22 -0.57 43.87 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.134 -0.979 . . . . 0.0 109.36 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -77.01 136.91 38.72 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.66 -0.65 . . . . 0.0 109.358 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -123.44 133.27 54.08 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -46.27 -83.8 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.038 -1.039 . . . . 0.0 110.012 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.92 178.74 28.8 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -92.19 140.1 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.4 -1.059 . . . . 0.0 110.234 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -78.48 149.72 33.13 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.16 159.96 40.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 0.0 109.359 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -152.36 169.84 21.56 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -54.79 138.91 41.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 56' ' ' ARG . 39.4 mtt-85 -62.17 130.46 45.53 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.286 -0.884 . . . . 0.0 111.884 -177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' VAL . 5.6 ttmt -52.29 148.99 5.88 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' LYS . 14.9 p -42.11 150.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.484 -0.76 . . . . 0.0 109.453 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -82.39 130.58 35.13 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.975 -1.078 . . . . 0.0 108.47 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.4 t -145.61 148.8 33.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.124 -0.985 . . . . 0.0 109.475 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -90.02 -93.24 0.12 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.128 -0.983 . . . . 0.0 109.27 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -178.89 -175.16 45.7 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -126.65 154.08 44.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.569 -0.96 . . . . 0.0 108.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.86 140.02 58.83 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.031 -1.043 . . . . 0.0 109.103 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -118.57 149.29 41.59 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.617 0.722 . . . . 0.0 110.02 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.922 -179.652 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.43 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.43 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.31 0 O4'-C1'-N19 110.581 3.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.397 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.681 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.858 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.566 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.444 1.871 1 O4'-C1'-N19 111.933 5.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.519 " H2'" ' H72' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.796 0 O4'-C1'-N19 110.649 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.519 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.621 1 O4'-C1'-N19 111.317 4.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.06 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.388 1 O4'-C1'-N19 112.305 5.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.433 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.258 0 O4'-C1'-N19 110.153 2.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.526 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.802 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.054 1 O4'-C1'-N19 111.753 4.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.505 4.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.672 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.762 3.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.5 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.476 4.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.526 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.52 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 112.185 5.481 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.45 ' OP2' HD23 ' A' ' 37' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.462 4.578 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 111.649 4.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.454 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.423 1 O4'-C1'-N19 111.424 4.529 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.454 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.532 1 O4'-C1'-N19 112.037 5.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.428 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.543 4.058 0 C3'-C2'-C1' 107.323 3.302 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.649 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.479 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.583 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 1 O4'-C1'-N19 111.882 5.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 O4'-C1'-N19 110.972 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' NH1' ' CB ' ' A' ' 18' ' ' TRP . 3.6 mmp_? -69.91 -39.9 75.91 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.247 -0.908 . . . . 0.0 109.213 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.26 115.56 0.78 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.73 -0.606 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.29 -2.19 80.74 Favored Glycine 0 N--CA 1.499 2.892 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.1 m -70.61 114.46 8.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.784 -1.421 . . . . 0.0 110.861 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.37 140.97 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -58.61 119.49 7.15 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.883 -1.136 . . . . 0.0 111.416 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -60.05 -39.85 87.43 Favored 'General case' 0 C--N 1.293 -1.891 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.369 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.47 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -75.63 -38.87 58.6 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.756 -1.215 . . . . 0.0 111.997 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.7 p -130.97 13.61 5.24 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 120.368 1.44 . . . . 0.0 112.877 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.515 ' N ' ' O ' ' A' ' 7' ' ' CYS . 26.9 mm100 57.16 4.56 0.2 Allowed 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.281 -1.512 . . . . 0.0 113.849 176.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -67.24 158.0 32.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 119.98 -1.7 . . . . 0.0 108.656 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 m -130.43 6.43 4.84 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.194 -0.941 . . . . 0.0 109.432 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.3 p -106.05 48.22 0.85 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.247 -0.908 . . . . 0.0 109.256 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -77.55 147.69 35.61 Favored 'General case' 0 C--N 1.284 -2.266 0 O-C-N 121.161 -0.962 . . . . 0.0 111.836 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.3 p -77.63 -39.04 46.61 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.859 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.7 tp -143.95 132.64 22.42 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.491 ' CZ3' HG21 ' A' ' 15' ' ' THR . 59.5 m95 -80.74 128.08 33.24 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.209 -0.932 . . . . 0.0 109.862 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.859 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.8 mmt180 -110.72 176.24 5.11 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.575 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 17.4 mmm-85 -131.0 139.71 50.03 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.84 160.09 34.72 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.336 -0.852 . . . . 0.0 109.449 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -53.57 -16.08 7.3 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.382 1.388 . . . . 0.0 112.295 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.8 mtm -95.2 -11.4 28.13 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.035 -1.041 . . . . 0.0 109.8 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.54 36.36 6.2 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -109.86 115.99 54.53 Favored Pre-proline 0 N--CA 1.495 1.808 0 O-C-N 121.282 -1.128 . . . . 0.0 110.439 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -51.95 128.72 27.81 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.065 1.059 . . . . 0.0 111.989 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.7 m -133.68 159.08 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 121.631 -0.668 . . . . 0.0 109.84 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.87 160.98 22.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -0.932 . . . . 0.0 109.861 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -49.76 -34.65 19.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.686 -0.634 . . . . 0.0 111.955 -177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.31 -49.97 15.53 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.534 -1.354 . . . . 0.0 111.717 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.467 ' HB3' HD22 ' A' ' 9' ' ' ASN . 69.6 m -59.81 -42.31 93.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.493 -1.379 . . . . 0.0 110.053 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.24 77.1 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.83 -47.02 76.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.367 -1.078 . . . . 0.0 109.159 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -59.96 -47.27 86.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 108.856 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.665 ' O ' ' N ' ' A' ' 39' ' ' GLN . 12.8 t80 -63.56 -48.9 75.57 Favored 'General case' 0 C--O 1.197 -1.66 0 CA-C-O 121.387 0.613 . . . . 0.0 110.845 -178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.13 -41.22 92.19 Favored 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.177 -1.577 . . . . 0.0 110.745 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.45 HD23 ' OP2' ' C' ' 122' ' ' ' DT' . 7.9 mp -67.39 -41.46 84.93 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 120.974 -1.079 . . . . 0.0 111.281 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' GLN . 87.5 m-70 -123.31 6.95 9.05 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 120.869 -1.144 . . . . 0.0 112.559 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.665 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.2 tt0 35.92 59.19 0.9 Allowed 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.697 -1.252 . . . . 0.0 112.305 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.57 151.75 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -86.56 129.73 34.76 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.045 -1.034 . . . . 0.0 109.845 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.556 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -94.39 129.17 37.7 Favored Pre-proline 0 N--CA 1.497 1.885 0 O-C-N 121.143 -0.973 . . . . 0.0 109.238 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -47.37 151.79 2.7 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 CA-C-N 120.071 1.061 . . . . 0.0 112.85 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.6 mp -60.04 -9.94 3.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.619 -0.676 . . . . 0.0 110.746 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 63.6 p -57.02 -13.11 2.46 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 120.7 -1.25 . . . . 0.0 109.248 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 ttt -96.63 -4.41 41.07 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.11 -0.994 . . . . 0.0 109.999 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -78.06 133.73 37.87 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.685 -0.635 . . . . 0.0 111.302 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' GLY . 31.4 mtmm -115.98 128.6 55.87 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.44 5.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.873 -1.142 . . . . 0.0 111.221 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -150.34 168.73 30.29 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 14' ' ' THR . 3.1 mt -90.02 137.8 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.269 . . . . 0.0 109.76 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.69 150.79 27.85 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.505 -0.747 . . . . 0.0 109.489 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.84 160.4 39.37 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 110.346 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 13.9 tpt180 -149.74 156.25 41.53 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.51 139.98 11.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.031 -1.043 . . . . 0.0 109.044 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -57.49 123.37 15.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.418 -0.801 . . . . 0.0 109.232 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -67.6 169.53 9.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.318 -0.864 . . . . 0.0 110.18 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.02 160.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.527 -0.733 . . . . 0.0 109.842 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.3 p -91.18 84.45 5.67 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.3 t -92.06 77.28 5.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.265 -0.897 . . . . 0.0 109.771 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -167.91 89.4 0.28 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.467 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.5 -105.21 2.67 Favored Glycine 0 N--CA 1.499 2.887 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -83.26 158.95 22.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.383 -1.069 . . . . 0.0 109.852 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -79.98 -0.96 37.46 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.389 -0.819 . . . . 0.0 109.766 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 65' ' ' ARG . 39.3 ttt-85 -59.88 138.01 57.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.107 -0.996 . . . . 0.0 109.112 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.848 . . . . 0.0 109.294 -179.487 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 0 O4'-C1'-N19 110.698 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 1 O4'-C1'-N19 111.316 4.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.833 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O4'-C1'-N19 110.819 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.58 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.462 3.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.578 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.066 1 O4'-C1'-N19 111.641 4.802 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.546 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.195 0 O4'-C1'-N19 110.874 3.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.451 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.572 1 O4'-C1'-N19 111.167 4.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.278 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 0 O4'-C1'-N19 110.108 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.587 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.289 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.908 3.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.76 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.587 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.103 4.128 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.404 ' H72' " H2'" ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.329 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.53 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.53 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.607 1 O4'-C1'-N19 112.208 5.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.461 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.125 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.413 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.451 2.353 1 O4'-C1'-N19 111.806 5.007 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.488 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.251 0 O4'-C1'-N19 110.527 3.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.488 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.106 1 O4'-C1'-N19 112.524 5.905 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.489 ' OP1' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.184 0 C3'-C2'-C1' 107.174 3.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.583 4.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.436 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.744 3.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.713 3.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 1 O4'-C1'-N19 111.368 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 5' ' ' THR . 61.0 mttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HG2' ' NH1' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -95.15 -10.01 31.82 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.377 -0.827 . . . . 0.0 109.402 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.31 113.33 5.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.564 -0.71 . . . . 0.0 110.263 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 -10.9 55.99 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 16.0 m -63.28 120.64 11.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -1.23 . . . . 0.0 110.191 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 m -120.25 141.93 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.2 t -63.07 117.53 6.61 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.587 -1.321 . . . . 0.0 109.888 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' PRO . 63.8 m -59.94 -40.13 87.88 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -73.33 -40.06 64.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 112.547 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.4 p -132.52 13.05 4.53 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.366 -1.459 . . . . 0.0 112.52 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.9 tt0 63.29 -0.92 0.59 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.759 -1.213 . . . . 0.0 113.584 176.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -63.1 148.35 48.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 119.622 -1.924 . . . . 0.0 108.973 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.5 p -108.92 -7.82 15.37 Favored 'General case' 0 N--CA 1.51 2.526 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 p -103.45 121.72 43.41 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.441 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.4 p -145.38 147.13 31.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.401 -0.812 . . . . 0.0 109.457 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.9 p -74.46 -40.58 61.81 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.798 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.1 tp -144.79 129.98 18.6 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.441 ' CZ3' HG21 ' A' ' 15' ' ' THR . 88.8 m95 -81.42 130.13 34.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.798 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -113.09 113.85 25.99 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 21' ' ' SER . 16.1 tpt180 -78.78 82.33 5.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 119.973 -1.704 . . . . 0.0 108.297 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.4 156.88 0.03 OUTLIER Pre-proline 0 N--CA 1.505 2.291 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -177.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -54.19 -16.41 9.62 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.241 1.961 . . . . 0.0 114.2 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.4 mtt -94.14 -16.88 23.34 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.963 -1.086 . . . . 0.0 109.377 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.52 16.86 23.42 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.72 122.0 54.49 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.617 -1.52 . . . . 0.0 109.369 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 8' ' ' SER . 5.7 Cg_exo -57.59 134.26 62.03 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 CA-C-N 120.049 1.053 . . . . 0.0 112.949 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' ARG . 10.8 m -141.41 161.0 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.414 0 O-C-N 121.35 -0.843 . . . . 0.0 109.979 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.45 154.45 22.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.942 -1.099 . . . . 0.0 109.379 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.749 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.1 t-20 -44.76 -37.57 3.86 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.5 -0.75 . . . . 0.0 111.983 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.53 -48.48 55.28 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.602 -1.311 . . . . 0.0 111.411 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' NH1' ' A' ' 42' ' ' ARG . 56.5 m -61.23 -41.7 97.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.87 -1.143 . . . . 0.0 110.885 -178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.83 -51.67 56.74 Favored Glycine 0 N--CA 1.484 1.893 0 C-N-CA 118.903 -1.618 . . . . 0.0 109.752 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 68.8 mt -64.51 -47.28 79.48 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.397 -1.061 . . . . 0.0 109.771 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 24.1 t80 -59.96 -42.98 95.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.052 -1.03 . . . . 0.0 109.489 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 39' ' ' GLN . 16.8 t80 -68.82 -46.59 68.22 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.674 -0.642 . . . . 0.0 110.858 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.3 ttpm? -59.93 -41.21 91.31 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 119.942 -1.724 . . . . 0.0 110.386 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.05 -39.99 75.37 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.085 -1.009 . . . . 0.0 111.612 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 78.7 m-70 -119.07 0.69 11.32 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 120.85 -1.156 . . . . 0.0 112.212 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.616 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.3 pt20 36.62 42.21 0.2 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.701 -1.25 . . . . 0.0 113.183 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -138.27 154.78 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.092 -1.005 . . . . 0.0 108.467 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -84.19 131.56 34.75 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.246 -0.909 . . . . 0.0 110.077 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -104.75 149.55 37.62 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.231 -0.918 . . . . 0.0 110.639 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.2 Cg_endo -62.9 153.25 74.39 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 121.372 1.381 . . . . 0.0 112.267 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.23 18.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.474 -0.766 . . . . 0.0 110.458 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 43' ' ' PRO . 14.0 t -64.16 -18.11 64.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.732 -1.23 . . . . 0.0 109.312 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.6 mtp -100.89 -7.36 23.55 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.3 -0.875 . . . . 0.0 109.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -81.24 130.79 35.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.387 -0.82 . . . . 0.0 110.503 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -131.36 150.07 52.29 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -41.55 -85.49 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 110.942 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.66 -172.54 32.56 Favored Glycine 0 N--CA 1.493 2.462 0 O-C-N 121.049 -1.032 . . . . 0.0 111.229 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mt -90.69 141.01 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.766 -0.843 . . . . 0.0 109.339 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -80.48 152.66 28.62 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.05 162.46 34.08 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.914 -1.116 . . . . 0.0 110.606 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -149.97 158.93 44.66 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.351 0.595 . . . . 0.0 109.945 -179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -56.11 139.75 46.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.388 -0.82 . . . . 0.0 109.223 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' NH1' ' OP1' ' C' ' 126' ' ' ' DC' . 38.6 mtp180 -64.9 127.01 29.78 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.351 -0.843 . . . . 0.0 110.51 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 56.0 pttt -65.12 160.68 20.64 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.709 -0.619 . . . . 0.0 109.426 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 59' ' ' SER . 14.3 p -46.17 163.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 110.08 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.511 ' N ' HG22 ' A' ' 58' ' ' VAL . 3.0 t -92.78 115.41 28.09 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.5 t -125.9 112.04 15.51 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.437 -0.789 . . . . 0.0 109.765 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.74 -37.03 76.34 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.233 -0.917 . . . . 0.0 108.681 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -137.88 163.4 25.58 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 108.836 -1.705 . . . . 0.0 108.836 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -60.35 -39.52 87.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.953 -1.322 . . . . 0.0 109.575 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -169.92 113.5 0.49 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.152 -0.968 . . . . 0.0 108.875 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -108.94 128.79 55.24 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.22 -0.925 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.593 HH11 ' HG2' ' A' ' 66' ' ' ARG . 1.5 ptt-85 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.042 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.844 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.178 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.517 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.498 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.836 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.253 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.525 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 2.032 1 O4'-C1'-N19 112.251 5.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 112.473 5.841 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 1 O4'-C1'-N19 112.184 5.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.966 0 C3'-C2'-C1' 106.908 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.05 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 1 O4'-C1'-N19 111.805 5.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 1 O4'-C1'-N19 111.273 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.696 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.397 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.185 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 1 O4'-C1'-N19 111.63 4.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.541 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.24 1 O4'-C1'-N19 111.312 4.391 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.541 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.348 4.435 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.533 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.526 1.816 0 O4'-C1'-N19 110.867 3.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.332 1 O4'-C1'-N19 111.549 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.932 0 O4'-C1'-N19 110.941 3.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.457 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 1 O4'-C1'-N19 112.791 6.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.422 H5'' ' NE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.281 0 O4'-C1'-N19 110.488 3.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.958 3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.457 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.201 4.251 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 110.382 3.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 1 O4'-C1'-N19 111.664 4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 89.3 mttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -6.01 51.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.319 -0.863 . . . . 0.0 109.148 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.48 111.93 7.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 0.0 110.895 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.6 -10.84 58.42 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m -68.1 114.84 6.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.725 -1.456 . . . . 0.0 110.326 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.62 142.42 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 43.7 t -63.97 119.05 9.36 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 120.79 -1.193 . . . . 0.0 110.395 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.6 m -60.59 -40.1 90.52 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.83 -0.543 . . . . 0.0 110.242 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -77.42 -38.68 49.18 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.037 -1.065 . . . . 0.0 112.066 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.7 p -128.59 13.57 6.47 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 120.291 1.405 . . . . 0.0 112.428 -178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 24.4 mt-30 56.04 0.06 0.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.695 -1.253 . . . . 0.0 113.537 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 12.3 t -63.68 154.18 33.83 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 119.993 -1.692 . . . . 0.0 108.471 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.3 p -127.96 3.07 5.94 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.288 -0.882 . . . . 0.0 108.774 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.602 ' O ' HD11 ' A' ' 51' ' ' ILE . 6.0 p -100.34 49.17 0.91 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.565 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -78.92 144.47 34.84 Favored 'General case' 0 C--N 1.288 -2.08 0 O-C-N 121.315 -0.865 . . . . 0.0 111.54 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 30.9 p -77.49 -36.51 52.6 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.852 HD23 ' NH1' ' A' ' 19' ' ' ARG . 6.8 tp -141.94 130.9 23.09 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 15' ' ' THR . 45.0 m95 -80.86 125.24 29.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.678 -1.264 . . . . 0.0 109.242 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.852 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -117.2 129.34 55.87 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -82.5 148.06 28.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 119.987 -1.696 . . . . 0.0 106.854 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.73 157.04 44.42 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 120.963 -1.086 . . . . 0.0 109.582 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -50.29 -23.09 9.41 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.265 1.31 . . . . 0.0 112.104 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.8 ttt -90.72 -15.19 30.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.53 25.01 9.58 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -103.83 119.38 54.72 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.269 -1.136 . . . . 0.0 109.707 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -51.21 127.98 23.79 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 CA-C-N 120.154 1.091 . . . . 0.0 112.655 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.08 158.15 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.218 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -81.32 155.68 25.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.084 -1.01 . . . . 0.0 109.126 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 49.9 t-20 -49.93 -30.95 11.24 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.231 -0.918 . . . . 0.0 111.967 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.57 -50.19 16.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.253 -1.53 . . . . 0.0 110.501 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.0 m -58.16 -40.54 81.66 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.603 -1.311 . . . . 0.0 109.618 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.92 69.37 Favored Glycine 0 N--CA 1.485 1.927 0 C-N-CA 119.163 -1.494 . . . . 0.0 110.229 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.18 -49.89 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.129 -1.218 . . . . 0.0 110.197 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.07 -42.19 94.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.856 -1.153 . . . . 0.0 109.602 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.669 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -69.52 -47.72 62.85 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 121.411 -0.806 . . . . 0.0 110.184 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.1 -42.37 94.53 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.954 -1.716 . . . . 0.0 110.026 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.12 -42.1 73.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.022 -1.049 . . . . 0.0 111.402 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.533 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 76.1 m-70 -115.77 1.41 13.44 Favored 'General case' 0 N--CA 1.513 2.716 0 O-C-N 120.769 -1.207 . . . . 0.0 112.178 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 pm0 32.97 46.63 0.09 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.885 -1.134 . . . . 0.0 113.478 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 38' ' ' HIS . 11.3 m -140.88 150.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.121 -0.987 . . . . 0.0 108.683 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -86.19 139.41 31.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.743 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.24 150.03 62.55 Favored Pre-proline 0 N--CA 1.506 2.35 0 O-C-N 121.135 -0.978 . . . . 0.0 109.258 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' C ' ' H ' ' A' ' 45' ' ' THR . 4.4 Cg_exo -51.71 150.47 16.88 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 120.783 0.989 . . . . 0.0 113.357 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.06 7.22 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.445 -0.784 . . . . 0.0 110.147 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.541 ' H ' ' C ' ' A' ' 43' ' ' PRO . 13.1 t -63.18 -12.24 26.65 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 108.631 179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tpt -95.58 -11.95 26.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.197 -0.939 . . . . 0.0 108.883 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' NH1' ' O ' ' A' ' 10' ' ' CYS . 70.4 ttt180 -81.05 130.82 35.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.74 -0.6 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 50' ' ' GLY . 19.4 mmmt -117.8 131.03 56.62 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.41 -0.806 . . . . 0.0 109.086 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -52.95 2.11 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.371 -0.83 . . . . 0.0 112.452 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.88 169.82 31.28 Favored Glycine 0 N--CA 1.498 2.782 0 O-C-N 120.636 -1.29 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.602 HD11 ' O ' ' A' ' 14' ' ' THR . 33.3 mt -90.38 129.45 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.351 -1.087 . . . . 0.0 108.811 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.32 151.29 28.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.502 -0.749 . . . . 0.0 109.356 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.02 167.85 20.45 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.583 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -152.71 163.0 40.52 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -54.19 135.84 43.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 108.906 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' A' ' 56' ' ' ARG . 5.8 tpt180 -56.24 121.23 9.02 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 109.717 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -64.77 -167.9 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.62 -0.675 . . . . 0.0 109.507 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.7 142.09 16.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.197 -0.939 . . . . 0.0 109.867 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.8 p -81.92 67.67 8.0 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.0 t -74.31 125.92 29.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.538 -0.726 . . . . 0.0 110.295 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -145.96 127.32 14.93 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.34 95.78 1.58 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -149.9 119.73 7.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.269 -1.136 . . . . 0.0 109.587 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -129.14 142.63 50.82 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.293 -0.879 . . . . 0.0 108.921 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' HG3' ' NH1' ' A' ' 65' ' ' ARG . 48.8 mtm-85 -72.54 137.5 46.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.214 -0.929 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.054 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.653 4.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.68 3.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.208 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 O4'-C1'-N19 110.832 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.869 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.515 3.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.545 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.925 1 O4'-C1'-N19 112.476 5.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.453 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.195 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.349 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.608 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.783 3.729 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.41 " H4'" ' HE ' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.747 4.933 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.671 0 C3'-C2'-C1' 106.974 3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.856 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.545 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 1 O4'-C1'-N19 111.17 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.493 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.339 3.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.943 0 O4'-C1'-N19 110.586 3.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.578 4.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.551 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.551 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.506 1 O4'-C1'-N19 112.296 5.62 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.537 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.463 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.464 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.469 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.193 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.469 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.071 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 112.061 5.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.441 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.577 3.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 1 O4'-C1'-N19 111.112 4.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 1 O4'-C1'-N19 111.351 4.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.527 ' O ' ' OG1' ' A' ' 5' ' ' THR . 41.7 mmtm . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -44.18 -24.6 0.17 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.651 -0.655 . . . . 0.0 110.302 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -80.76 101.77 9.53 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 109.41 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.09 2.51 64.27 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.527 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 16.2 m -63.43 120.36 11.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.725 -1.456 . . . . 0.0 110.845 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -120.95 141.87 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.0 t -64.44 117.15 6.89 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.468 -1.395 . . . . 0.0 110.3 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 m -59.91 -40.05 87.53 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.462 -0.774 . . . . 0.0 110.478 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' HB3' HH12 ' A' ' 42' ' ' ARG . 94.1 m-20 -75.41 -38.67 59.73 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 118.843 -1.143 . . . . 0.0 112.212 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.4 p -130.79 12.43 5.28 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-N 120.318 1.417 . . . . 0.0 112.258 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' CYS . 28.7 mm100 59.33 1.49 0.25 Allowed 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 176.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -60.8 144.8 51.83 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.75 -1.844 . . . . 0.0 107.759 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -108.13 -3.22 18.79 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -106.55 121.38 44.19 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.51 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.8 p -144.59 148.86 34.89 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.074 -1.016 . . . . 0.0 110.121 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.5 p -74.12 -42.39 60.11 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.869 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 11.8 tp -143.67 130.88 20.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.202 -0.936 . . . . 0.0 108.691 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.51 ' CZ3' HG21 ' A' ' 15' ' ' THR . 65.6 m95 -77.37 127.56 32.78 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.836 -1.165 . . . . 0.0 108.801 179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.628 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.7 mmt-85 -115.18 120.66 40.48 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.551 -0.718 . . . . 0.0 109.938 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 20' ' ' ARG . 5.1 tpt180 -71.71 143.14 49.76 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.379 -1.712 . . . . 0.0 106.379 178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -89.0 152.4 48.29 Favored Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 120.83 -1.169 . . . . 0.0 109.701 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -49.24 -22.82 6.02 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.13 1.22 . . . . 0.0 112.717 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' OD2' ' A' ' 25' ' ' ASP . 25.9 ptm -92.47 -14.41 28.51 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.336 -0.853 . . . . 0.0 109.776 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.24 23.13 10.71 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' OD2' ' SD ' ' A' ' 23' ' ' MET . 35.9 m-20 -103.35 117.22 60.69 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.03 -1.277 . . . . 0.0 108.825 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -53.05 135.14 58.33 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 CA-C-N 120.283 1.137 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG11 ' ND2' ' A' ' 9' ' ' ASN . 5.1 m -139.88 159.65 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 O-C-N 121.109 -0.994 . . . . 0.0 110.246 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 p -82.4 153.06 25.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.041 -1.037 . . . . 0.0 108.218 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.578 HD22 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -49.96 -32.02 13.93 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.96 -1.088 . . . . 0.0 112.123 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -51.77 28.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.319 -1.488 . . . . 0.0 110.312 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 m -57.06 -43.85 82.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.969 -1.082 . . . . 0.0 110.567 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.83 -51.54 54.58 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.601 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.56 -47.37 78.97 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.215 -1.168 . . . . 0.0 109.885 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.06 -41.7 92.91 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 109.551 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 39' ' ' GLN . 19.9 t80 -68.89 -48.12 64.15 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.659 -0.651 . . . . 0.0 110.44 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -60.02 -41.2 91.68 Favored 'General case' 0 C--N 1.292 -1.919 0 O-C-N 120.013 -1.68 . . . . 0.0 110.6 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.81 -38.58 76.66 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.052 -1.03 . . . . 0.0 110.871 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.0 m-70 -119.49 -9.16 9.9 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.042 -1.036 . . . . 0.0 112.097 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.705 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.3 tt0 43.02 51.2 5.41 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.353 -1.467 . . . . 0.0 111.123 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.84 152.04 13.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -85.78 132.61 34.09 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.177 -0.952 . . . . 0.0 108.862 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.833 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -119.61 150.0 49.22 Favored Pre-proline 0 N--CA 1.507 2.4 0 O-C-N 121.326 -0.859 . . . . 0.0 109.47 -179.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -51.66 150.33 16.94 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 120.677 0.918 . . . . 0.0 113.633 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.569 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp -67.08 -19.12 65.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.837 -0.539 . . . . 0.0 110.646 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LEU . 2.0 t -43.53 -16.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.09 -1.006 . . . . 0.0 110.318 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.562 ' N ' ' O ' ' A' ' 44' ' ' LEU . 75.6 mmm -78.52 -46.64 19.07 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.026 -1.046 . . . . 0.0 110.189 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.545 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -81.33 169.23 17.52 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.291 -0.88 . . . . 0.0 111.105 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -137.86 164.29 29.33 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -49.09 -79.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -0.913 . . . . 0.0 109.81 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.23 -176.73 24.55 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.25 135.91 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.368 -1.078 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -78.2 153.4 32.02 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.3 162.7 33.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.683 -1.261 . . . . 0.0 110.503 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HE ' " H4'" ' B' ' 112' ' ' ' DA' . 27.4 tpt180 -149.66 155.52 40.36 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.06 137.59 46.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.193 -0.942 . . . . 0.0 108.842 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -59.14 126.91 29.62 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.914 . . . . 0.0 110.436 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -68.28 -169.16 0.13 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.65 -0.656 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.8 p -49.96 134.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -79.26 109.78 13.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.859 -1.151 . . . . 0.0 108.997 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.9 t -109.59 124.84 51.82 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 63' ' ' LYS . 23.4 mtmm -127.43 143.62 51.18 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.51 50.65 0.62 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' LYS . 76.9 tttt -60.01 -40.97 91.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.175 -1.191 . . . . 0.0 108.776 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -70.18 -25.62 63.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.415 -0.803 . . . . 0.0 109.279 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 65' ' ' ARG . 7.1 mmt-85 -73.1 149.31 43.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 109.885 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 66' ' ' ARG . 23.8 mmt-85 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.859 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.646 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.487 3.359 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.378 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.817 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.539 3.467 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 112.06 5.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.559 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.502 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.312 0 O4'-C1'-N19 110.54 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.5 1 O4'-C1'-N19 111.715 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.898 3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.491 " O3'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 O4'--C1' 1.451 2.368 1 O4'-C1'-N19 112.45 5.813 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.408 " H5'" HH22 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.893 0 C4'-C3'-C2' 106.148 2.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.568 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.66 1 O4'-C1'-N19 111.471 4.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.9 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.359 0 O4'-C1'-N19 110.138 2.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.568 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.311 4.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.297 4.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.567 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.899 5.123 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.492 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.946 1 O4'-C1'-N19 111.556 4.694 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.492 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.271 1 O4'-C1'-N19 111.306 4.382 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.518 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 O4'--C1' 1.449 2.215 1 O4'-C1'-N19 111.57 4.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.525 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.91 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.534 " O3'" ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.464 1 O4'-C1'-N19 112.328 5.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.103 0 C3'-C2'-C1' 107.36 3.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.448 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.543 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.252 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.806 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.452 ' O ' ' OG1' ' A' ' 5' ' ' THR . 1.3 mmp_? -69.87 -36.02 75.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' ARG . . . -36.22 115.78 0.36 Allowed 'General case' 0 N--CA 1.499 1.979 0 CA-C-O 121.392 0.615 . . . . 0.0 110.946 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.39 1.03 62.63 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.214 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 2' ' ' ARG . 32.3 m -59.47 120.81 10.07 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.572 -1.546 . . . . 0.0 109.262 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 m -116.46 140.03 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.2 t -62.95 118.55 7.96 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.592 -1.317 . . . . 0.0 110.494 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -60.14 -40.03 88.42 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.087 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.569 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -76.16 -39.69 54.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.956 -1.09 . . . . 0.0 112.481 -177.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.41 ' SG ' HG22 ' A' ' 12' ' ' THR . 10.6 p -128.31 15.13 6.68 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 120.691 -1.256 . . . . 0.0 112.312 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 95.2 mt-30 56.1 0.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.846 -1.159 . . . . 0.0 113.301 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.41 HG22 ' SG ' ' A' ' 10' ' ' CYS . 5.8 t -65.37 153.11 42.15 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.962 -1.711 . . . . 0.0 109.434 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 t -114.01 -7.96 13.08 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 121.201 -0.937 . . . . 0.0 109.191 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 p -97.5 118.64 34.43 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.6 p -145.08 147.42 32.54 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.125 -0.985 . . . . 0.0 109.642 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.5 p -77.14 -37.18 54.5 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 8.7 tp -149.06 131.14 15.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 15' ' ' THR . 79.8 m95 -78.94 129.31 34.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.994 -1.066 . . . . 0.0 108.925 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.816 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.3 mmt180 -113.65 122.68 47.92 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.222 -0.924 . . . . 0.0 109.514 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -71.94 140.53 49.22 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.029 -1.67 . . . . 0.0 107.536 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.34 160.48 37.01 Favored Pre-proline 0 N--CA 1.506 2.374 0 O-C-N 120.809 -1.182 . . . . 0.0 109.597 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.18 -20.76 15.12 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 121.305 1.337 . . . . 0.0 112.721 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -96.51 -8.32 32.35 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.016 . . . . 0.0 109.554 -179.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.29 27.78 19.44 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.041 -1.623 . . . . 0.0 109.041 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 5.9 m-20 -103.41 109.93 62.79 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.228 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -49.16 134.47 30.36 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.04 1.05 . . . . 0.0 113.357 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.569 HG11 ' ND2' ' A' ' 9' ' ' ASN . 12.5 m -138.35 159.81 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 121.51 -0.744 . . . . 0.0 109.872 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -81.92 157.86 24.16 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.851 -1.156 . . . . 0.0 109.952 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.816 ' ND2' HH21 ' A' ' 19' ' ' ARG . 51.1 t-20 -49.79 -42.27 46.36 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.488 -0.758 . . . . 0.0 112.111 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.67 -52.08 59.15 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.594 -1.316 . . . . 0.0 110.658 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 35' ' ' TYR . 29.5 m -54.85 -45.87 74.6 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 120.803 -1.186 . . . . 0.0 110.699 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.54 -48.04 67.07 Favored Glycine 0 C--N 1.284 -2.33 0 C-N-CA 119.162 -1.494 . . . . 0.0 110.983 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.7 mt -69.84 -58.99 3.22 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.038 -1.272 . . . . 0.0 111.254 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.566 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.7 t80 -60.1 -42.25 94.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.62 -1.3 . . . . 0.0 110.242 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.9 t80 -64.7 -44.8 89.11 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.984 -1.072 . . . . 0.0 109.172 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.06 -43.69 95.23 Favored 'General case' 0 C--N 1.291 -1.978 0 O-C-N 120.287 -1.508 . . . . 0.0 109.983 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -73.76 -39.97 63.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.198 -0.939 . . . . 0.0 111.611 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.566 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 44.6 m-70 -114.25 -6.66 12.99 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.1 -1.0 . . . . 0.0 112.358 -176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 35.58 48.9 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.861 -1.15 . . . . 0.0 112.723 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 38' ' ' HIS . 6.2 m -136.45 143.34 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.198 -0.939 . . . . 0.0 108.789 177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.2 p-10 -87.82 137.21 32.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.702 -0.624 . . . . 0.0 109.539 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 15.9 mmm180 -107.02 150.47 39.87 Favored Pre-proline 0 N--CA 1.506 2.356 0 O-C-N 121.019 -1.051 . . . . 0.0 108.827 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 45' ' ' THR . 10.2 Cg_endo -63.0 45.8 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 120.567 0.845 . . . . 0.0 113.245 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' ARG . 8.9 mp 45.87 13.59 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.232 -0.918 . . . . 0.0 111.703 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' PRO . 9.7 t -73.11 -10.1 59.42 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 120.585 -1.322 . . . . 0.0 109.384 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.662 ' CG ' HH21 ' A' ' 47' ' ' ARG . 2.8 tpt -97.72 -18.13 19.01 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.348 -0.845 . . . . 0.0 111.12 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.702 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -68.9 140.08 55.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.352 -1.467 . . . . 0.0 110.622 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 50' ' ' GLY . 8.0 mtmp? -115.01 128.68 56.42 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.61 6.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 111.282 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -151.19 167.04 30.66 Favored Glycine 0 N--CA 1.495 2.631 0 O-C-N 120.634 -1.291 . . . . 0.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -94.64 114.69 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.322 -1.105 . . . . 0.0 108.188 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -74.2 167.09 22.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.172 -1.58 . . . . 0.0 110.187 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.31 161.09 36.75 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.508 0.671 . . . . 0.0 109.618 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' NH2' " O3'" ' B' ' 112' ' ' ' DA' . 23.5 mtp180 -146.78 162.2 39.06 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.464 0.649 . . . . 0.0 109.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -58.52 140.57 53.91 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.329 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' NH1' " O3'" ' C' ' 125' ' ' ' DT' . 20.0 mmt180 -62.01 127.14 29.98 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.424 -0.798 . . . . 0.0 109.472 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' A' ' 57' ' ' LYS . 41.5 pttt -66.12 -169.36 0.07 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.079 . . . . 0.0 110.054 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -48.66 146.77 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.2 p -82.77 154.71 24.62 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.953 -1.092 . . . . 0.0 109.089 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.7 t -150.24 55.33 0.93 Allowed 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.24 -36.39 81.85 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.16 0.505 . . . . 0.0 109.919 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -154.96 178.85 31.43 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -155.91 159.98 39.75 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.384 -1.068 . . . . 0.0 109.168 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -66.5 126.8 30.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.072 -1.017 . . . . 0.0 109.254 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.5 HH11 ' HG2' ' A' ' 65' ' ' ARG . 13.8 ttt-85 -149.7 109.77 4.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.324 -0.86 . . . . 0.0 108.681 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 117.957 -1.021 . . . . 0.0 109.628 -179.446 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.843 3.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.415 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.474 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.415 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.699 4.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.508 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.565 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C1'-N19 112.29 5.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.412 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.205 1 O4'-C1'-N19 111.608 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.488 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.934 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.57 4.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 0 C3'-C2'-C1' 106.894 2.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.527 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 1 O4'-C1'-N19 111.605 4.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.385 1 O4'-C1'-N19 111.094 4.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.409 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.527 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.08 1 O4'-C1'-N19 111.319 4.399 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.481 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.481 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.918 5.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.556 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.256 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.169 0 O4'-C1'-N19 110.642 3.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.412 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.558 1 O4'-C1'-N19 112.272 5.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.407 ' OP1' ' NH1' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C1'-N19 110.422 3.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 1 O4'-C1'-N19 111.463 4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.508 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.352 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.413 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.159 0 O4'-C1'-N19 110.938 3.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 mttp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.448 HH12 ' HB2' ' A' ' 18' ' ' TRP . 18.9 mmt180 -69.51 -33.81 73.37 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.64 118.48 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.19 0.519 . . . . 0.0 111.035 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.3 -7.66 77.57 Favored Glycine 0 N--CA 1.499 2.838 0 O-C-N 121.142 -0.973 . . . . 0.0 111.142 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -68.31 111.85 4.84 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.85 -1.382 . . . . 0.0 109.734 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 m -117.57 142.86 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.3 t -61.83 116.07 4.53 Favored 'General case' 0 C--N 1.294 -1.847 0 O-C-N 120.7 -1.25 . . . . 0.0 110.197 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -60.02 -39.02 84.4 Favored 'General case' 0 C--N 1.294 -1.842 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.479 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -76.24 -39.31 54.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.826 -1.171 . . . . 0.0 112.47 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.7 p -129.49 11.12 5.76 Favored 'General case' 0 N--CA 1.512 2.639 0 CA-C-N 120.627 1.558 . . . . 0.0 112.654 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' CYS . 42.2 tt0 64.2 -2.6 0.57 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.822 -1.174 . . . . 0.0 113.684 176.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -61.66 159.17 13.84 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 119.431 -2.043 . . . . 0.0 109.019 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.0 m -135.59 13.05 3.46 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.923 -1.111 . . . . 0.0 108.688 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 10.5 p -114.79 48.95 1.08 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.528 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.86 148.14 36.68 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.233 -0.917 . . . . 0.0 112.071 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -78.47 -39.05 39.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 3.6 tp -143.42 130.31 20.49 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CZ3' HG21 ' A' ' 15' ' ' THR . 77.9 m95 -81.25 128.24 33.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.972 -1.08 . . . . 0.0 109.067 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.686 HH21 ' ND2' ' A' ' 29' ' ' ASN . 22.8 mmt180 -113.84 115.36 27.62 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.493 -0.754 . . . . 0.0 109.066 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH2' ' O ' ' A' ' 24' ' ' GLY . 19.8 tpt180 -66.25 141.55 57.99 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -91.11 151.79 43.46 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 120.868 -1.145 . . . . 0.0 109.29 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -47.28 -24.65 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.288 1.326 . . . . 0.0 113.304 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ttt -90.47 -17.34 27.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.256 -0.903 . . . . 0.0 109.521 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . 101.61 23.15 9.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.9 OUTLIER -101.13 111.67 63.84 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.192 -1.181 . . . . 0.0 109.479 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -48.5 129.49 19.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 CA-C-N 120.167 1.095 . . . . 0.0 112.647 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 19' ' ' ARG . 16.1 m -135.98 160.29 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.541 0 O-C-N 121.327 -0.858 . . . . 0.0 110.086 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 p -82.93 158.85 22.45 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.03 -1.044 . . . . 0.0 111.211 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.686 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.0 t-20 -44.3 -46.22 9.08 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.879 -178.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -67.97 -51.29 49.1 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.806 -1.184 . . . . 0.0 111.298 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.1 m -55.42 -46.49 76.66 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.687 -1.258 . . . . 0.0 109.372 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.92 -49.21 59.62 Favored Glycine 0 C--N 1.289 -2.043 0 C-N-CA 119.327 -1.416 . . . . 0.0 110.425 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 73.9 mt -69.82 -52.83 21.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.069 -1.254 . . . . 0.0 110.344 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE2' ' OP1' ' C' ' 122' ' ' ' DT' . 20.2 t80 -59.98 -47.44 85.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.794 -1.191 . . . . 0.0 109.534 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.3 t80 -60.07 -45.17 93.79 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.98 -47.84 84.16 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 119.922 -1.737 . . . . 0.0 110.308 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.5 mp -70.17 -40.04 74.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.014 -1.054 . . . . 0.0 111.325 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 76.4 m-70 -108.14 -20.09 13.27 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 120.954 -1.091 . . . . 0.0 112.288 -178.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.684 ' N ' ' O ' ' A' ' 35' ' ' TYR . 54.0 tt0 47.49 52.95 11.73 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.347 -1.471 . . . . 0.0 111.188 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -150.02 150.28 13.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -85.92 134.15 33.9 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.121 -0.987 . . . . 0.0 109.265 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -120.09 152.5 54.46 Favored Pre-proline 0 N--CA 1.508 2.448 0 O-C-N 121.265 -0.897 . . . . 0.0 109.863 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.9 Cg_endo -58.94 152.44 58.17 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 122.094 1.863 . . . . 0.0 113.06 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.0 mp -66.12 24.52 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.491 -0.756 . . . . 0.0 111.082 -179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -62.42 -14.82 44.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.666 -1.271 . . . . 0.0 109.558 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.509 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 63.5 mmm -100.86 -14.63 17.88 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.285 -0.885 . . . . 0.0 110.404 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.707 HH12 ' HB3' ' A' ' 30' ' ' ALA . 2.4 mmp_? -83.11 136.26 34.53 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.048 -1.033 . . . . 0.0 112.023 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.7 mtpt -134.54 157.52 46.32 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LYS . 32.1 m-20 -41.73 -84.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.551 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.42 -172.41 19.73 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.5 mt -90.69 145.16 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 121.136 -1.214 . . . . 0.0 109.251 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -71.96 147.3 47.08 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.05 158.55 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.856 -1.152 . . . . 0.0 110.185 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' CG ' ' N ' ' A' ' 55' ' ' ASN . 38.0 ttm180 -152.2 163.37 39.53 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.814 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 74.3 m-80 -49.6 132.72 21.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.137 -0.977 . . . . 0.0 108.502 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' NH1' ' OP1' ' C' ' 126' ' ' ' DC' . 66.5 ttt180 -59.01 131.65 51.69 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.705 0.764 . . . . 0.0 111.365 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -55.17 157.27 3.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.764 -0.585 . . . . 0.0 109.983 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.87 143.43 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.063 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.7 p -75.0 125.27 28.57 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.239 -0.913 . . . . 0.0 109.029 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 t -130.93 126.98 37.53 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.455 -0.778 . . . . 0.0 109.56 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -138.3 139.85 39.31 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.64 153.94 46.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -78.32 164.79 24.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.415 -1.05 . . . . 0.0 108.685 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -54.32 133.39 45.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.945 -1.097 . . . . 0.0 109.673 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -116.67 14.82 15.45 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.585 -0.697 . . . . 0.0 109.616 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.764 -179.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.619 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.286 0 O4'-C1'-N19 110.552 3.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.416 ' H72' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.263 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.077 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.018 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.619 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.949 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.599 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 2.035 1 O4'-C1'-N19 112.559 5.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.573 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.637 0 O4'-C1'-N19 110.987 3.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.469 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.641 1 O4'-C1'-N19 111.333 4.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.412 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.587 " C4'" HH21 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.618 1 O4'-C1'-N19 112.389 5.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.413 " H5'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.577 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.759 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.33 1 O4'-C1'-N19 111.464 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.647 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.577 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.992 1 O4'-C1'-N19 111.706 4.882 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.06 4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.519 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.962 5.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.519 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.424 " H2'" ' H72' ' C' ' 123' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.387 4.483 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.424 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.432 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.41 0 O4'-C1'-N19 110.955 3.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.462 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 112.121 5.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.498 ' H42' ' H61' ' B' ' 108' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.037 0 C3'-C2'-C1' 107.315 3.296 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 1 O4'-C1'-N19 111.234 4.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.406 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.466 3.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 1 O4'-C1'-N19 111.017 4.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.219 0 O4'-C1'-N19 110.902 3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 3' ' ' ALA . 47.2 pttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.646 0.736 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 18.43 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.07 -1.019 . . . . 0.0 108.992 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 1' ' ' LYS . . . -89.68 107.24 18.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.323 -0.861 . . . . 0.0 108.849 178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 14.37 40.38 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.144 -1.983 . . . . 0.0 108.144 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -61.09 119.86 9.16 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.28 -1.129 . . . . 0.0 110.42 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.15 140.74 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLN . 54.1 t -66.16 118.99 10.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.652 -1.28 . . . . 0.0 110.53 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -60.84 -39.97 91.06 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.565 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.483 ' H ' HG12 ' A' ' 27' ' ' VAL . 3.7 m120 -72.33 -39.92 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.941 -1.1 . . . . 0.0 112.234 -177.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.43 ' SG ' HG22 ' A' ' 12' ' ' THR . 15.7 p -129.04 7.16 5.49 Favored 'General case' 0 N--CA 1.512 2.637 0 CA-C-N 120.37 1.441 . . . . 0.0 112.208 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 7' ' ' CYS . 38.7 tp60 62.23 1.67 0.74 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.327 -1.483 . . . . 0.0 112.74 176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -64.23 154.03 36.23 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.119 -1.613 . . . . 0.0 108.244 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -114.09 -4.27 13.18 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.045 -1.035 . . . . 0.0 109.074 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -103.73 120.56 41.19 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.427 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.4 p -145.43 148.34 33.2 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.092 -1.005 . . . . 0.0 109.841 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.9 p -74.82 -41.16 60.45 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 5.9 tp -145.62 131.09 18.71 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CZ3' HG21 ' A' ' 15' ' ' THR . 78.2 m95 -77.87 128.62 34.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.711 HH21 ' ND2' ' A' ' 29' ' ' ASN . 28.3 mmt180 -111.85 178.15 4.41 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -131.99 140.95 49.12 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.83 161.82 32.7 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 120.827 -1.171 . . . . 0.0 109.425 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -52.67 -18.02 8.02 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.455 1.436 . . . . 0.0 113.099 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.3 -2.72 41.94 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.94 -1.1 . . . . 0.0 109.698 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.48 27.36 27.6 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -97.6 117.16 65.67 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.207 -1.172 . . . . 0.0 109.69 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -52.1 138.15 53.67 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 CA-C-N 119.987 1.031 . . . . 0.0 112.007 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.1 m -143.28 159.81 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 O-C-N 121.228 -0.92 . . . . 0.0 110.342 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.6 p -83.7 159.73 21.45 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.109 -0.995 . . . . 0.0 110.086 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.711 ' ND2' HH21 ' A' ' 19' ' ' ARG . 45.2 t-20 -47.68 -38.0 14.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.495 -0.753 . . . . 0.0 111.931 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.31 -50.56 18.35 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.611 -1.306 . . . . 0.0 111.488 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' HH21 ' A' ' 42' ' ' ARG . 65.3 m -57.78 -43.12 85.37 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.451 -1.405 . . . . 0.0 109.849 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.57 -53.78 36.72 Favored Glycine 0 N--CA 1.484 1.851 0 C-N-CA 119.315 -1.421 . . . . 0.0 110.421 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.4 mt -65.84 -47.61 74.41 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -1.148 . . . . 0.0 110.734 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -59.99 -45.09 93.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.791 -1.193 . . . . 0.0 109.258 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.2 t80 -62.22 -49.09 77.14 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.717 0.77 . . . . 0.0 110.298 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -57.01 -41.74 79.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.046 -1.034 . . . . 0.0 111.704 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.0 -49.97 75.56 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.242 -1.536 . . . . 0.0 109.709 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 73.8 m-70 -101.7 -71.19 0.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.546 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER 116.15 55.44 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 124.082 0.953 . . . . 0.0 110.034 -179.591 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -147.43 160.65 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -84.59 153.1 23.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.143 -0.973 . . . . 0.0 108.668 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -124.09 149.95 61.82 Favored Pre-proline 0 N--CA 1.507 2.421 0 O-C-N 120.962 -1.086 . . . . 0.0 109.659 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -48.9 151.6 5.38 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 120.74 0.96 . . . . 0.0 112.779 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.35 7.93 2.01 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.26 -0.9 . . . . 0.0 109.229 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.4 p -64.13 -12.7 42.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 108.847 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttt -96.48 -7.48 34.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -80.18 131.36 35.7 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.421 0.629 . . . . 0.0 110.665 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 50' ' ' GLY . 61.4 tttm -122.73 139.69 53.7 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.91 4.37 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.126 -0.984 . . . . 0.0 111.029 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 48' ' ' LYS . . . -153.9 175.99 31.98 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mt -90.46 135.63 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.079 -1.248 . . . . 0.0 108.575 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -76.97 153.73 34.27 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 108.452 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.03 159.63 41.32 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.948 -1.095 . . . . 0.0 110.057 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.587 HH21 " C4'" ' B' ' 112' ' ' ' DA' . 9.2 ptm180 -152.3 176.4 11.65 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.371 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -61.06 135.36 57.75 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.137 -0.977 . . . . 0.0 108.708 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' LYS . 92.3 mtt180 -70.04 138.4 52.1 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.545 0.688 . . . . 0.0 112.503 -177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 28.8 ttmt -40.44 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.05 131.14 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -50.34 127.7 17.95 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.745 -1.222 . . . . 0.0 111.074 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -53.37 -59.96 3.9 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.46 0.648 . . . . 0.0 109.286 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -157.81 125.37 5.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.421 -0.799 . . . . 0.0 109.753 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.24 37.66 0.07 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.352 -1.087 . . . . 0.0 109.965 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -70.08 142.42 52.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.142 -0.974 . . . . 0.0 109.722 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 65' ' ' ARG . 11.4 mmt-85 -78.56 137.04 37.69 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.025 -1.047 . . . . 0.0 108.81 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.562 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.418 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.462 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.457 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.457 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.079 4.099 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.145 4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.489 ' OP2' ' NH2' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.849 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.87 3.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.534 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.136 1 O4'-C1'-N19 113.015 6.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.339 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.422 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 O4'-C1'-N19 110.568 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 112.423 5.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 C3'-C2'-C1' 107.033 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.488 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.709 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 1 O4'-C1'-N19 111.281 4.351 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 O4'-C1'-N19 110.633 3.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.825 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.416 3.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.417 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.601 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.488 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.488 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.962 1 O4'-C1'-N19 111.639 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.474 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 112.205 5.506 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.68 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.543 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.322 1 O4'-C1'-N19 111.354 4.442 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.408 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.545 4.222 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.741 4.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.91 0 O4'-C1'-N19 110.371 3.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.242 4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.472 0 O4'-C1'-N19 110.618 3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 1 O4'-C1'-N19 111.576 4.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.869 0 O4'-C1'-N19 110.794 3.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.288 1 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.489 ' NH2' ' OP2' ' B' ' 105' ' ' ' DC' . 8.2 mpt_? -101.52 -0.5 34.93 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.422 -0.799 . . . . 0.0 109.949 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.54 114.06 12.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.044 -1.035 . . . . 0.0 110.663 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.03 -12.31 44.04 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 m -69.16 110.45 4.56 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.661 -1.494 . . . . 0.0 110.018 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -121.21 141.37 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.0 t -61.9 120.18 10.25 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.817 -1.177 . . . . 0.0 110.931 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.9 m -60.02 -40.03 87.89 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.698 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.93 -39.18 43.62 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 119.324 -0.95 . . . . 0.0 112.344 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.9 p -128.37 12.06 6.44 Favored 'General case' 0 N--CA 1.511 2.594 0 CA-C-N 120.117 1.326 . . . . 0.0 112.254 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' CYS . 47.8 mt-30 55.33 -1.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.828 -1.17 . . . . 0.0 112.867 177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 10' ' ' CYS . 6.0 t -61.71 155.54 22.49 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.214 -1.554 . . . . 0.0 107.902 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.5 p -131.92 10.92 4.67 Favored 'General case' 0 N--CA 1.509 2.518 0 O-C-N 120.884 -1.135 . . . . 0.0 109.706 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 17.8 p -110.01 47.66 0.94 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.245 -0.909 . . . . 0.0 108.596 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.511 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -77.93 148.52 34.49 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.615 -0.678 . . . . 0.0 111.483 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.431 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 15.9 p -76.59 -37.92 55.68 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.849 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 7.3 tp -141.18 131.19 24.59 Favored 'General case' 0 N--CA 1.5 2.038 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.511 ' CZ3' HG21 ' A' ' 15' ' ' THR . 29.8 m95 -79.72 129.54 34.56 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.905 -1.122 . . . . 0.0 109.163 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.564 HH12 HD23 ' A' ' 17' ' ' LEU . 4.4 mmt-85 -114.17 179.77 3.86 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.49 0.662 . . . . 0.0 109.727 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -131.68 143.56 50.37 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.51 159.59 38.56 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.126 -0.984 . . . . 0.0 108.81 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -16.3 5.97 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.238 1.292 . . . . 0.0 112.038 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -94.48 -10.61 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.325 -0.859 . . . . 0.0 109.994 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.35 24.56 26.15 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.8 m-20 -99.21 116.66 64.98 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.467 -1.02 . . . . 0.0 109.276 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -49.42 131.55 27.79 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 CA-C-N 120.023 1.044 . . . . 0.0 112.372 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 m -138.53 159.39 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.268 0 O-C-N 121.432 -0.792 . . . . 0.0 110.125 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 p -82.64 154.77 24.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.154 -0.966 . . . . 0.0 108.568 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -50.02 -31.6 13.26 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.259 -0.901 . . . . 0.0 111.078 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.85 -52.74 15.92 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 120.709 -1.244 . . . . 0.0 111.001 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.5 m -58.37 -41.21 84.28 Favored 'General case' 0 N--CA 1.506 2.352 0 O-C-N 120.398 -1.439 . . . . 0.0 110.454 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.2 -49.14 64.75 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 118.621 -1.752 . . . . 0.0 109.608 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.9 mt -69.99 -51.32 33.44 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.44 -1.035 . . . . 0.0 110.549 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 15.1 t80 -60.01 -47.55 85.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.123 . . . . 0.0 109.893 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.0 t80 -60.0 -45.48 92.62 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.694 0.759 . . . . 0.0 109.848 -178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -60.07 -41.31 92.12 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 120.082 -1.636 . . . . 0.0 110.526 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.78 -40.97 72.3 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.851 -1.156 . . . . 0.0 111.989 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.68 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 72.5 m-70 -114.78 -10.35 12.41 Favored 'General case' 0 N--CA 1.509 2.5 0 O-C-N 120.889 -1.132 . . . . 0.0 111.36 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.638 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.8 tt0 43.55 53.68 5.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.656 -1.277 . . . . 0.0 111.449 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 m -149.13 156.4 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -85.6 124.63 32.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.772 -1.205 . . . . 0.0 109.438 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -96.58 131.96 27.24 Favored Pre-proline 0 N--CA 1.5 2.053 0 O-C-N 121.205 -0.935 . . . . 0.0 109.819 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -45.51 152.2 0.92 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 CA-C-N 119.968 1.024 . . . . 0.0 113.01 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -70.41 5.41 1.78 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.476 -0.765 . . . . 0.0 111.337 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.8 t -58.45 -13.22 4.98 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.855 -1.153 . . . . 0.0 110.248 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ttt -94.31 -11.23 30.51 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.933 -1.104 . . . . 0.0 110.275 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -79.74 138.01 37.19 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.787 -1.196 . . . . 0.0 109.597 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.3 mtpm? -124.31 142.51 51.21 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.25 2.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.325 -0.859 . . . . 0.0 112.349 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -152.32 171.99 31.55 Favored Glycine 0 N--CA 1.495 2.616 0 O-C-N 120.41 -1.431 . . . . 0.0 109.958 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -87.87 136.17 23.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 O-C-N 121.26 -1.141 . . . . 0.0 109.055 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -80.78 146.04 31.16 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.74 159.29 42.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.933 -1.104 . . . . 0.0 109.206 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -150.76 156.57 41.56 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -53.77 139.88 31.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.452 -0.78 . . . . 0.0 109.423 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -62.59 131.24 48.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.423 -0.798 . . . . 0.0 110.665 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -70.26 -168.66 0.24 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 111.023 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.0 m -55.72 145.26 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.629 -0.67 . . . . 0.0 109.756 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.4 t -89.33 57.95 4.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.261 -0.9 . . . . 0.0 108.621 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.8 t -61.53 -36.81 81.61 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.679 0.752 . . . . 0.0 109.027 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.89 -39.81 86.6 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -94.98 43.49 2.26 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -87.88 122.51 31.59 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.281 . . . . 0.0 110.174 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -142.23 154.4 44.75 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 65' ' ' ARG . 14.8 ptt-85 -80.04 6.94 10.11 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.974 -1.079 . . . . 0.0 109.333 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' HE ' ' CA ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.672 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.379 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.602 4.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.472 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.529 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.165 0 C3'-C2'-C1' 107.276 3.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.565 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.447 2.063 1 O4'-C1'-N19 112.232 5.54 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.565 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.363 3.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.405 ' H71' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.16 1 O4'-C1'-N19 111.07 4.088 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.617 1 O4'-C1'-N19 111.907 5.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 112.382 5.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.796 0 O4'-C1'-N19 110.271 3.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.479 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.551 1 O4'-C1'-N19 112.402 5.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.219 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 1 O4'-C1'-N19 111.197 4.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.492 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 112.114 5.392 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.492 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 112.194 5.493 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.501 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.652 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.413 1 O4'-C1'-N19 112.103 5.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.492 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.608 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.492 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.819 1 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.212 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.529 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.2 0 O4'-C1'-N19 110.489 3.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.425 3.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.813 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 tttm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -99.59 -11.07 21.31 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.227 -0.92 . . . . 0.0 109.804 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.77 120.01 15.75 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.159 -0.963 . . . . 0.0 110.725 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.46 -16.4 10.42 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -62.89 119.95 10.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -1.205 . . . . 0.0 110.619 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -121.5 140.65 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 177.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.5 t -62.86 117.23 6.08 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 120.804 -1.185 . . . . 0.0 110.413 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.7 m -60.19 -39.94 88.27 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.244 -0.91 . . . . 0.0 109.988 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.411 ' H ' HG12 ' A' ' 27' ' ' VAL . 4.9 m120 -74.05 -39.16 63.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.879 -1.138 . . . . 0.0 111.666 -178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' SG ' HG22 ' A' ' 12' ' ' THR . 4.1 p -133.58 16.92 3.97 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 120.644 -1.285 . . . . 0.0 112.549 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' CYS . 40.8 tt0 51.74 -1.43 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.576 -1.327 . . . . 0.0 114.151 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' SG ' ' A' ' 10' ' ' CYS . 15.2 t -57.07 145.06 32.01 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 119.339 -2.101 . . . . 0.0 107.996 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.8 p -107.28 -9.76 15.98 Favored 'General case' 0 N--CA 1.514 2.736 0 O-C-N 121.143 -0.973 . . . . 0.0 109.028 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 p -98.29 119.37 36.85 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.426 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -145.3 149.12 34.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.154 -0.966 . . . . 0.0 109.492 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.3 p -78.26 -38.88 41.72 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.8 tp -148.06 131.32 16.49 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.221 -0.924 . . . . 0.0 108.649 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.426 ' CZ3' HG21 ' A' ' 15' ' ' THR . 94.4 m95 -80.82 130.26 34.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.021 -1.05 . . . . 0.0 108.788 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.789 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.0 mmt180 -115.6 121.41 42.54 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.056 -1.027 . . . . 0.0 109.656 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -69.05 141.24 54.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 119.985 -1.697 . . . . 0.0 106.671 178.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.44 157.47 44.57 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 120.787 -1.195 . . . . 0.0 109.658 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -50.71 -21.87 8.72 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.13 1.22 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.5 tpt -96.08 -12.17 25.24 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.217 -0.927 . . . . 0.0 109.218 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.59 27.27 10.72 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -104.66 110.21 64.04 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.169 -1.195 . . . . 0.0 109.166 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -49.88 131.18 29.1 Favored 'Trans proline' 0 N--CA 1.498 1.78 0 CA-C-N 119.98 1.028 . . . . 0.0 112.757 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.4 m -133.95 161.77 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.553 0 O-C-N 121.669 -0.645 . . . . 0.0 110.058 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.0 p -83.18 156.21 23.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.825 -1.172 . . . . 0.0 109.443 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.789 ' ND2' HH21 ' A' ' 19' ' ' ARG . 38.7 t-20 -45.7 -46.64 15.01 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.516 -0.74 . . . . 0.0 112.085 -178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.96 -50.21 71.67 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.683 -1.261 . . . . 0.0 111.048 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.7 m -55.77 -43.14 76.47 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.607 -1.308 . . . . 0.0 110.075 -179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -48.71 72.93 Favored Glycine 0 C--N 1.291 -1.963 0 C-N-CA 119.166 -1.493 . . . . 0.0 110.417 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.34 -51.94 26.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.142 -1.211 . . . . 0.0 110.669 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -59.94 -41.89 92.83 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.741 -1.225 . . . . 0.0 109.201 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.711 ' O ' ' N ' ' A' ' 39' ' ' GLN . 27.5 t80 -66.32 -48.15 71.21 Favored 'General case' 0 C--O 1.197 -1.664 0 CA-C-O 121.69 0.757 . . . . 0.0 109.863 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -60.03 -41.38 92.11 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 119.862 -1.774 . . . . 0.0 109.892 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.08 -41.07 71.16 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 111.165 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 70.3 m-70 -114.52 -10.16 12.59 Favored 'General case' 0 N--CA 1.512 2.672 0 O-C-N 120.835 -1.166 . . . . 0.0 112.007 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.711 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.5 tt0 41.27 55.84 3.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.54 -1.35 . . . . 0.0 112.027 178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -149.54 153.47 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 6.9 p30 -83.73 123.64 30.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.91 -1.119 . . . . 0.0 109.587 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 42' ' ' ARG . 9.6 ttt-85 -97.67 132.38 25.18 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.32 -0.863 . . . . 0.0 110.027 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -48.42 150.93 5.13 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 CA-C-N 119.86 0.986 . . . . 0.0 112.417 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' MET . 8.4 mp -66.52 -12.59 58.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.661 -0.649 . . . . 0.0 111.807 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -46.49 -13.27 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.863 -1.148 . . . . 0.0 110.473 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' LEU . 26.8 ttt -97.74 -14.0 21.1 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.951 -1.093 . . . . 0.0 112.675 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.586 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 18.4 mmt180 -77.14 149.62 35.62 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.088 -1.633 . . . . 0.0 110.441 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' ASP . 80.6 tttt -124.84 142.31 51.52 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' LYS . 73.0 m-20 -42.45 -85.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.245 -0.909 . . . . 0.0 110.543 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.02 -173.21 24.4 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -92.63 143.4 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.252 -1.146 . . . . 0.0 109.891 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -80.31 151.68 29.38 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.04 161.78 36.8 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.474 -1.391 . . . . 0.0 111.106 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -144.93 171.34 14.58 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.93 140.01 56.99 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 56' ' ' ARG . 22.6 mmt-85 -56.57 126.48 26.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.389 -0.819 . . . . 0.0 110.317 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 5.0 ttpm? -47.35 165.67 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.529 -0.732 . . . . 0.0 109.274 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.8 t -50.76 129.83 9.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 p -82.36 56.37 3.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.911 -1.118 . . . . 0.0 108.589 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -60.03 -41.28 91.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.69 -0.632 . . . . 0.0 110.428 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.43 138.42 51.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.7 -1.25 . . . . 0.0 109.011 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.92 149.61 31.51 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -94.88 0.59 54.91 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.444 -1.033 . . . . 0.0 108.992 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -68.19 141.55 55.95 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.381 -0.824 . . . . 0.0 109.89 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.05 144.54 53.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.478 -0.764 . . . . 0.0 109.106 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.597 -179.879 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.424 1 O4'-C1'-N19 111.076 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.328 3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-N19 111.045 4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 110.916 3.895 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.841 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.768 3.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.526 1.916 1 O4'-C1'-N19 112.289 5.611 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.515 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.07 1 O4'-C1'-N19 111.023 4.029 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.835 3.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.41 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.45 2.289 1 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 C3'-C2'-C1' 106.971 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.544 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.802 1 O4'-C1'-N19 111.268 4.335 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.443 4.553 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.555 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.436 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.155 0 O4'-C1'-N19 110.829 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.544 ' N2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.456 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.248 1 O4'-C1'-N19 112.252 5.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.503 ' OP1' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.727 1 O4'-C1'-N19 111.098 4.123 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.495 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.451 2.356 1 O4'-C1'-N19 112.035 5.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.464 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.419 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.482 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.877 5.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.443 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.976 0 O4'-C1'-N19 110.377 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.423 4.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.015 0 O4'-C1'-N19 110.997 3.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 C3'-C2'-C1' 107.13 3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.534 ' O ' ' OG1' ' A' ' 5' ' ' THR . 98.8 mttt . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -43.73 -22.08 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.34 -0.85 . . . . 0.0 110.972 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -81.38 103.69 11.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.304 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.96 3.39 68.09 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 14.1 m -63.85 121.44 14.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -1.182 . . . . 0.0 112.09 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.66 141.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLN . 37.7 t -57.7 119.58 6.87 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 120.809 -1.182 . . . . 0.0 111.188 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 m -60.02 -39.96 87.67 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.449 -0.782 . . . . 0.0 109.775 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' H ' HG12 ' A' ' 27' ' ' VAL . 98.1 m-20 -79.28 -38.13 36.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.894 -1.129 . . . . 0.0 111.245 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 11' ' ' GLN . 4.2 p -134.66 23.87 3.68 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.522 -1.361 . . . . 0.0 112.595 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 7' ' ' CYS . 10.4 pt20 27.66 58.98 0.1 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 10.2 t -99.6 140.9 33.11 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 104.937 -2.245 . . . . 0.0 104.937 172.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -99.97 -2.84 33.55 Favored 'General case' 0 N--CA 1.513 2.711 0 CA-C-N 120.956 1.707 . . . . 0.0 107.931 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 p -110.25 119.31 38.82 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.442 HG21 ' CH2' ' A' ' 18' ' ' TRP . 4.9 p -144.36 148.57 34.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.12 -0.988 . . . . 0.0 109.551 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.448 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 5.0 p -76.83 -41.45 44.16 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.974 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.8 tp -145.32 131.5 19.45 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.329 -0.857 . . . . 0.0 108.737 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CH2' HG21 ' A' ' 15' ' ' THR . 81.1 m95 -81.63 129.62 34.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.966 -1.083 . . . . 0.0 108.853 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.974 ' NH1' HD23 ' A' ' 17' ' ' LEU . 16.0 mmt180 -112.23 117.17 31.8 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.137 -0.977 . . . . 0.0 108.75 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 21' ' ' SER . 7.6 tpp180 -86.38 85.0 7.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 119.979 -1.701 . . . . 0.0 108.645 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -33.74 157.37 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.813 -0.554 . . . . 0.0 111.923 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.21 -8.85 2.81 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.623 1.549 . . . . 0.0 112.847 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.6 -24.65 19.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.336 -0.852 . . . . 0.0 109.476 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.35 17.07 18.81 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 4.8 m-20 -102.61 129.37 26.08 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.794 -1.415 . . . . 0.0 109.214 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -65.09 135.92 45.81 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 CA-C-N 120.16 1.093 . . . . 0.0 113.588 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.3 m -142.76 161.01 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.389 -0.819 . . . . 0.0 109.29 177.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.5 p -83.75 155.95 22.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.921 -1.112 . . . . 0.0 110.046 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.704 ' ND2' HH21 ' A' ' 19' ' ' ARG . 49.4 t-20 -49.54 -35.52 20.58 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.489 -0.757 . . . . 0.0 111.56 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' CB ' HH22 ' A' ' 42' ' ' ARG . . . -68.68 -49.0 62.49 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.596 -1.315 . . . . 0.0 110.216 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' CA ' HH21 ' A' ' 42' ' ' ARG . 56.9 m -61.63 -43.97 97.87 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.955 -1.091 . . . . 0.0 109.881 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.33 -51.3 43.09 Favored Glycine 0 C--N 1.291 -1.925 0 C-N-CA 119.154 -1.498 . . . . 0.0 110.39 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HA ' ' HZ3' ' A' ' 36' ' ' LYS . 63.6 mt -69.41 -49.82 51.59 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.161 -1.199 . . . . 0.0 110.736 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -59.95 -40.31 88.56 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.517 -1.364 . . . . 0.0 109.652 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.692 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.0 t80 -67.77 -49.66 61.29 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.821 0.819 . . . . 0.0 109.884 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HZ3' ' HA ' ' A' ' 33' ' ' LEU . 7.0 ttpm? -59.98 -40.71 90.04 Favored 'General case' 0 C--N 1.289 -2.03 0 O-C-N 120.209 -1.557 . . . . 0.0 109.873 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.52 -40.02 73.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.403 -0.811 . . . . 0.0 111.515 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 77.1 m-70 -120.08 -4.68 10.04 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.92 -1.113 . . . . 0.0 111.991 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.692 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.4 tt0 39.58 55.63 2.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.882 -1.136 . . . . 0.0 111.612 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -148.55 150.84 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -85.53 129.32 34.85 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.153 -0.967 . . . . 0.0 109.524 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.553 HH21 ' CA ' ' A' ' 31' ' ' CYS . 14.1 ptt180 -101.87 151.57 37.99 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 121.206 -0.934 . . . . 0.0 110.198 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.8 Cg_endo -63.63 149.19 91.52 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.193 1.262 . . . . 0.0 112.334 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.54 9.01 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.401 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.518 ' H ' ' C ' ' A' ' 43' ' ' PRO . 12.2 p -60.97 -15.56 32.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.974 -1.079 . . . . 0.0 108.833 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.3 tpt -96.24 -8.66 32.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.258 -0.901 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -77.39 125.02 28.66 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' GLY . 23.2 ttpp -122.27 137.02 54.99 Favored 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.66 1.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.279 -0.888 . . . . 0.0 111.849 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.17 173.05 32.09 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.563 -1.335 . . . . 0.0 110.377 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.1 mt -90.41 139.88 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.026 . . . . 0.0 108.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -80.28 148.48 30.73 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.162 -0.961 . . . . 0.0 109.108 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 161.97 35.81 Favored 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.742 -1.224 . . . . 0.0 110.466 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -151.08 159.15 44.68 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.48 136.0 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.995 -1.065 . . . . 0.0 109.016 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 122.54 7.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -69.84 -177.05 1.19 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 110.282 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.6 t -43.32 148.37 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.515 -0.741 . . . . 0.0 109.663 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.2 p -63.43 137.8 58.28 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.256 -0.978 . . . . 0.0 108.994 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.1 m -130.9 138.94 50.02 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.869 0.842 . . . . 0.0 109.842 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' LYS . 17.2 ptmt -174.12 -167.95 0.37 Allowed 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.11 47.39 0.24 Allowed Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 61' ' ' LYS . 2.5 tmtm? -59.94 -46.11 90.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -1.151 . . . . 0.0 109.265 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -69.25 139.99 54.47 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.161 -0.962 . . . . 0.0 108.946 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.4 ttt-85 -138.37 133.27 32.72 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.201 -0.937 . . . . 0.0 109.48 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.017 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.353 1 O4'-C1'-N19 111.166 4.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.909 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.583 0 O4'-C1'-N19 110.392 3.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.535 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.445 1.944 1 O4'-C1'-N19 112.091 5.364 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.505 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.239 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.563 1 O4'-C1'-N19 111.792 4.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 112.351 5.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.449 0 C3'-C2'-C1' 107.095 3.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.275 1 O4'-C1'-N19 111.337 4.421 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.516 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.62 4.775 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.487 ' C8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.503 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.382 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 1 O4'-C1'-N19 111.664 4.83 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.56 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.597 1 O4'-C1'-N19 111.842 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.414 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.122 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.49 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.987 1 O4'-C1'-N19 111.214 4.268 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.49 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 111.551 4.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.835 0 C3'-C2'-C1' 107.372 3.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 1 O4'-C1'-N19 111.559 4.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.54 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.542 3.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.937 3.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.009 1 O4'-C1'-N19 111.149 4.187 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.471 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.589 0.709 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.411 ' HD3' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -100.63 0.15 38.65 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.495 -0.753 . . . . 0.0 109.497 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.41 114.46 13.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.268 -0.895 . . . . 0.0 110.262 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.95 -12.16 50.54 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -68.08 111.63 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.802 -1.411 . . . . 0.0 109.748 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.6 m -116.56 140.37 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -62.7 116.83 5.55 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.424 -1.423 . . . . 0.0 109.986 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m -60.05 -39.95 87.72 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.67 -0.644 . . . . 0.0 110.359 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -75.71 -39.36 57.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.949 -1.094 . . . . 0.0 111.965 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -129.01 13.97 6.27 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 120.539 -1.351 . . . . 0.0 112.473 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.8 mt-30 59.18 2.34 0.28 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -62.93 147.09 51.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.788 -1.82 . . . . 0.0 108.302 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -109.75 -10.7 14.78 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 107.337 -1.356 . . . . 0.0 107.337 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.3 p -102.73 125.39 49.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -148.31 152.28 36.81 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.235 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.8 p -74.23 -40.37 62.45 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.909 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.1 tp -146.46 133.1 19.87 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -79.36 124.72 28.68 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.708 -1.245 . . . . 0.0 110.17 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.739 HH12 HD23 ' A' ' 17' ' ' LEU . 2.8 mmt-85 -115.51 128.87 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.924 -0.485 . . . . 0.0 109.745 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -82.47 145.43 29.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.164 -1.585 . . . . 0.0 107.11 178.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.48 158.73 42.71 Favored Pre-proline 0 N--CA 1.498 1.973 0 O-C-N 120.871 -1.143 . . . . 0.0 108.699 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -49.83 -21.98 6.62 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 121.495 1.463 . . . . 0.0 113.333 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -92.83 -9.57 39.9 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.987 -1.071 . . . . 0.0 109.825 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.74 21.81 27.67 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.16 113.47 63.98 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -49.02 126.54 15.35 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 CA-C-N 119.923 1.008 . . . . 0.0 112.792 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.04 158.8 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.523 -0.736 . . . . 0.0 109.9 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -82.26 156.84 24.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.91 . . . . 0.0 109.02 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -50.0 -34.54 21.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.141 -0.974 . . . . 0.0 110.867 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.73 -55.3 13.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.716 -1.24 . . . . 0.0 110.478 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.8 m -58.3 -44.0 88.35 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.827 -1.171 . . . . 0.0 110.083 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.88 -47.89 46.46 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.623 -1.275 . . . . 0.0 110.18 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.5 mt -69.3 -51.91 32.62 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.262 -1.14 . . . . 0.0 110.667 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 56.1 t80 -60.12 -40.51 89.99 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.402 -1.436 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.2 t80 -62.96 -51.48 66.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.261 -0.899 . . . . 0.0 109.921 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -60.01 -40.95 91.02 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.624 -1.297 . . . . 0.0 110.605 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.97 -47.66 84.92 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.913 -1.117 . . . . 0.0 108.586 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.566 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 57.3 m-70 -106.45 -72.59 0.71 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.566 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 16.5 tt0 114.22 59.01 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.986 0 CA-C-O 122.395 1.093 . . . . 0.0 108.584 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -147.96 160.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -85.26 129.16 34.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.567 -1.333 . . . . 0.0 109.532 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -92.32 130.25 38.31 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.802 . . . . 0.0 109.443 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -46.72 150.65 2.39 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 CA-C-N 120.058 1.057 . . . . 0.0 112.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.1 mp -64.59 -29.9 70.91 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.579 -0.701 . . . . 0.0 110.711 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 57.3 p -47.16 -15.27 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.736 -1.228 . . . . 0.0 109.471 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' LEU . 11.1 tpt -80.58 -43.97 19.74 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.382 -0.824 . . . . 0.0 110.621 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.03 172.13 14.18 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.196 -0.94 . . . . 0.0 110.91 -178.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -137.89 159.62 41.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.31 -83.27 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.463 -0.773 . . . . 0.0 110.218 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.62 -171.43 26.92 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.736 -1.346 . . . . 0.0 109.736 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.1 mt -88.87 141.91 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -1.202 . . . . 0.0 109.824 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -79.28 156.47 28.06 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.93 160.62 39.99 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.813 -1.18 . . . . 0.0 111.691 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.409 HH21 H5'' ' B' ' 113' ' ' ' DC' . 1.5 mmt-85 -149.99 170.16 19.51 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.981 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -57.45 142.28 44.56 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -64.57 126.14 26.92 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.642 0.734 . . . . 0.0 110.781 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -57.05 139.91 50.81 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.538 0.685 . . . . 0.0 109.31 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -49.2 171.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.558 -0.714 . . . . 0.0 109.648 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 t -93.23 119.77 32.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.417 -0.802 . . . . 0.0 109.114 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -129.34 158.02 40.28 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.555 -0.716 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -128.12 143.11 51.04 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.615 -0.678 . . . . 0.0 109.506 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -158.03 72.99 0.23 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.165 -1.574 . . . . 0.0 109.165 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.0 150.4 33.9 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.317 -1.108 . . . . 0.0 109.206 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.06 -39.97 87.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.078 -1.014 . . . . 0.0 108.277 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -121.17 136.13 55.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.623 -0.673 . . . . 0.0 109.433 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 66' ' ' ARG . 35.0 ttt-85 . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.115 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.002 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.469 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.469 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.203 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.927 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.45 " H3'" HH22 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.343 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.857 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.58 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 1.993 1 O4'-C1'-N19 112.647 6.059 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.56 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.509 4.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.403 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.596 3.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.403 " O5'" H2'' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 112.453 5.817 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.47 0 C3'-C2'-C1' 107.01 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.566 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.537 1 O4'-C1'-N19 111.58 4.725 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.411 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.219 3.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.566 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.026 0 O4'-C1'-N19 110.783 3.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.444 ' C4 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.562 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.126 1 O4'-C1'-N19 111.733 4.916 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.562 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 112.018 5.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.439 ' H71' " H2'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.206 4.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.418 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.451 2.392 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.409 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.89 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.452 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.854 1 O4'-C1'-N19 111.756 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.855 0 C3'-C2'-C1' 107.298 3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.751 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.458 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.525 1.781 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 0 C3'-C2'-C1' 107.228 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.622 4.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 42.8 mttp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.45 HH22 " H3'" ' B' ' 105' ' ' ' DC' . 9.3 mpt_? -65.57 -40.07 92.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.023 -1.048 . . . . 0.0 108.541 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.89 113.95 0.75 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.598 -0.689 . . . . 0.0 111.047 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.22 83.77 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.193 -0.942 . . . . 0.0 111.734 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.9 m -68.71 118.42 11.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.781 -1.423 . . . . 0.0 110.818 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.7 m -121.59 142.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.3 t -59.74 119.37 7.51 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 120.833 -1.167 . . . . 0.0 110.581 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -60.96 -40.15 92.25 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.135 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -77.52 -38.27 49.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.85 -1.156 . . . . 0.0 111.691 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 p -131.0 14.57 5.22 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 120.135 1.334 . . . . 0.0 113.079 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.3 mt-30 57.03 0.01 0.07 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -59.55 157.49 11.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 119.695 -1.878 . . . . 0.0 108.292 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 p -132.33 9.52 4.39 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 120.747 -1.221 . . . . 0.0 108.638 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 80.5 p -114.22 50.93 0.9 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.709 0.766 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.471 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.3 p -78.86 149.73 32.4 Favored 'General case' 0 C--N 1.285 -2.226 0 O-C-N 121.272 -0.892 . . . . 0.0 111.157 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.2 p -74.35 -39.02 63.06 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.857 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 8.7 tp -143.75 132.31 22.33 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' ' 15' ' ' THR . 51.4 m95 -79.09 127.69 32.33 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.057 -1.027 . . . . 0.0 109.86 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.768 HH12 HD23 ' A' ' 17' ' ' LEU . 5.4 mmt-85 -117.96 131.52 56.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.85 -0.531 . . . . 0.0 110.019 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.5 mmt-85 -84.14 145.23 28.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.327 -1.483 . . . . 0.0 107.605 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -91.03 152.96 44.77 Favored Pre-proline 0 N--CA 1.499 2.014 0 O-C-N 120.965 -1.084 . . . . 0.0 108.655 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -44.87 -19.87 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.142 1.228 . . . . 0.0 114.082 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.27 -11.42 27.95 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.771 -1.206 . . . . 0.0 110.618 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.71 26.28 10.85 Favored Glycine 0 N--CA 1.496 2.648 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 1.6 m-20 -105.92 115.04 62.04 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.165 -1.197 . . . . 0.0 109.2 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -49.0 128.51 19.47 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.084 1.066 . . . . 0.0 113.299 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.62 158.47 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.39 0 O-C-N 121.574 -0.704 . . . . 0.0 109.546 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.77 154.45 24.74 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.065 -1.022 . . . . 0.0 109.095 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -49.48 -41.19 39.81 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.377 -0.827 . . . . 0.0 111.483 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.76 -51.12 66.3 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.482 -1.386 . . . . 0.0 110.314 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 33.9 m -57.42 -44.19 84.42 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.616 -1.303 . . . . 0.0 110.005 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.98 -49.92 64.31 Favored Glycine 0 C--N 1.29 -2.027 0 C-N-CA 118.829 -1.653 . . . . 0.0 109.99 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.82 -50.88 54.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.282 -1.128 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 34.6 t80 -59.98 -45.94 91.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.405 -1.435 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.618 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.9 t80 -61.88 -46.81 87.76 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.647 . . . . 0.0 110.566 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -60.05 -41.56 92.59 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.15 -1.594 . . . . 0.0 110.585 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.03 -39.96 75.46 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.903 -1.123 . . . . 0.0 111.557 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.421 ' NE2' ' OP1' ' C' ' 122' ' ' ' DT' . 49.6 m-70 -120.08 9.03 11.06 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 120.901 -1.124 . . . . 0.0 112.171 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.618 ' N ' ' O ' ' A' ' 35' ' ' TYR . 21.4 pt20 33.07 41.61 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.688 -1.257 . . . . 0.0 113.682 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -138.53 156.45 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -84.56 127.86 34.28 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.043 -1.036 . . . . 0.0 110.627 -178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.56 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.2 OUTLIER -92.68 134.11 28.3 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.128 -0.983 . . . . 0.0 110.397 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -43.79 151.67 0.41 Allowed 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.226 1.284 . . . . 0.0 113.471 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 46' ' ' MET . 4.6 mp -70.04 -29.02 65.95 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.684 . . . . 0.0 110.532 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.9 p -46.75 -12.72 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.298 -0.876 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.558 ' N ' ' O ' ' A' ' 44' ' ' LEU . 4.1 tpt -70.0 -47.19 63.15 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.215 -0.928 . . . . 0.0 109.911 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -83.09 171.43 13.75 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.306 -0.871 . . . . 0.0 111.324 -179.071 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 68.4 mttm -139.3 168.01 20.79 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 1.3 p-10 -38.42 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.419 -0.801 . . . . 0.0 111.32 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -69.37 -174.01 10.68 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.0 mt -89.25 140.42 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.273 -1.133 . . . . 0.0 109.087 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -74.8 147.6 41.08 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.51 158.06 44.57 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.886 -1.134 . . . . 0.0 110.572 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -147.56 165.54 30.04 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -49.94 138.46 15.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.183 -0.948 . . . . 0.0 108.853 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.83 131.64 47.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.816 0.817 . . . . 0.0 111.618 -177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -47.84 160.54 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.494 0.664 . . . . 0.0 110.297 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.85 145.74 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.472 -0.768 . . . . 0.0 109.396 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.0 p -89.97 43.39 1.14 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.149 -0.969 . . . . 0.0 108.519 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.2 t -59.79 -38.33 81.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.631 -0.668 . . . . 0.0 109.517 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -122.1 144.38 48.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.605 -0.685 . . . . 0.0 109.347 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.27 -30.55 0.04 OUTLIER Glycine 0 N--CA 1.484 1.854 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -119.86 133.64 55.51 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.493 -1.004 . . . . 0.0 109.752 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -93.95 -79.71 0.41 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.399 -0.813 . . . . 0.0 110.052 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -148.42 125.93 11.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.298 -0.876 . . . . 0.0 109.21 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.592 HH11 ' HG2' ' A' ' 66' ' ' ARG . 12.6 mtt-85 . . . . . 0 N--CA 1.496 1.844 0 O-C-N 120.943 -1.098 . . . . 0.0 109.706 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.697 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.135 4.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.259 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.46 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.019 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.55 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.442 1.723 1 O4'-C1'-N19 112.109 5.387 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.932 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.481 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.075 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.464 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.89 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.467 " O3'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 112.18 5.475 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.416 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.798 0 C3'-C2'-C1' 107.098 3.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.59 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.665 4.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 1 O4'-C1'-N19 111.335 4.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.727 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.525 0 C3'-C2'-C1' 106.646 2.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.59 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.211 4.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 1 O4'-C1'-N19 111.711 4.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.473 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.117 4.146 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.473 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.066 1 O4'-C1'-N19 112.52 5.9 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 1 O4'-C1'-N19 111.956 5.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.101 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.412 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.209 0 O5'-C5'-C4' 114.253 2.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.458 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.476 1 O4'-C1'-N19 112.711 6.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.969 0 C3'-C2'-C1' 107.33 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.395 4.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.46 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.322 0 O4'-C1'-N19 110.611 3.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 0 O4'-C1'-N19 110.717 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.166 1 O4'-C1'-N19 111.817 5.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.847 3.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.408 ' NZ ' ' HE ' ' A' ' 2' ' ' ARG . 13.5 pttp . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.448 ' HD3' ' HE1' ' A' ' 18' ' ' TRP . 48.0 mtt180 -102.62 -7.19 21.99 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.701 -0.624 . . . . 0.0 109.54 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.27 118.58 13.27 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.962 -1.086 . . . . 0.0 109.516 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -16.37 12.57 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m -69.99 116.9 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.796 -1.414 . . . . 0.0 110.074 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.37 141.22 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.8 t -61.45 117.83 6.2 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.513 -1.367 . . . . 0.0 110.491 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -59.94 -39.89 87.09 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.67 -0.644 . . . . 0.0 109.733 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.436 ' H ' HG12 ' A' ' 27' ' ' VAL . 9.6 m120 -74.34 -39.2 62.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.013 -1.055 . . . . 0.0 111.678 -178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.31 14.68 3.81 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 120.451 -1.405 . . . . 0.0 112.987 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 7' ' ' CYS . 96.8 mt-30 56.96 0.95 0.08 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.428 -1.42 . . . . 0.0 114.019 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -61.0 148.89 38.54 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 119.526 -1.984 . . . . 0.0 107.334 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.3 p -111.34 -9.84 14.25 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -100.22 120.53 40.04 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.8 p -145.48 149.17 34.17 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.029 -1.044 . . . . 0.0 109.605 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.3 p -72.85 -40.48 65.67 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD23 ' NH1' ' A' ' 19' ' ' ARG . 4.6 tp -147.37 132.55 18.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.383 -0.823 . . . . 0.0 109.024 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.448 ' HE1' ' HD3' ' A' ' 2' ' ' ARG . 71.2 m95 -80.02 129.23 34.33 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 0.0 108.545 178.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.714 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.8 mmt180 -116.09 119.98 37.59 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.089 -1.007 . . . . 0.0 109.859 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -68.31 141.07 55.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.238 -1.539 . . . . 0.0 107.088 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -92.08 155.27 43.12 Favored Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 120.71 -1.244 . . . . 0.0 110.143 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -47.62 -22.36 2.9 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.444 1.43 . . . . 0.0 113.54 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.5 mtp -95.17 -13.06 25.33 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.812 -1.18 . . . . 0.0 109.969 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.87 20.68 18.08 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -102.11 110.99 63.81 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.975 -1.309 . . . . 0.0 110.34 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -48.15 136.55 24.21 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 CA-C-N 120.019 1.043 . . . . 0.0 113.474 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 19' ' ' ARG . 13.8 m -140.12 161.72 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.479 -0.763 . . . . 0.0 109.867 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -84.27 155.82 22.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.714 ' ND2' HH21 ' A' ' 19' ' ' ARG . 46.6 t-20 -43.71 -43.81 6.17 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.568 -0.707 . . . . 0.0 111.265 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.53 57.42 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.752 -1.218 . . . . 0.0 111.601 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -58.55 -43.68 89.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.38 -1.45 . . . . 0.0 110.183 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -50.64 -46.15 47.25 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.107 -1.52 . . . . 0.0 110.14 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.0 mt -73.05 -52.87 12.72 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.599 -0.941 . . . . 0.0 110.879 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.07 -41.28 92.09 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 120.733 -1.229 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.576 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.75 -50.57 68.57 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.321 -0.862 . . . . 0.0 110.268 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -59.12 -41.88 89.24 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 120.427 -1.421 . . . . 0.0 110.873 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.6 -48.92 79.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.415 -1.428 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.578 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 64.0 m-70 -101.35 -71.71 0.7 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 48.7 tt0 109.67 57.87 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.705 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -151.28 163.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -85.98 138.39 32.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.952 -1.092 . . . . 0.0 110.269 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -110.25 135.12 20.61 Favored Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 121.227 -0.921 . . . . 0.0 110.161 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -45.37 151.27 1.02 Allowed 'Trans proline' 0 N--CA 1.493 1.465 0 CA-C-N 119.798 0.964 . . . . 0.0 112.489 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -71.87 -9.8 58.85 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 111.595 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' LEU . 6.5 t -45.59 -16.75 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.817 -1.177 . . . . 0.0 109.87 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -85.12 -32.11 22.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.361 -0.837 . . . . 0.0 111.824 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -72.92 151.55 41.84 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.895 -1.128 . . . . 0.0 111.324 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASP . 58.8 mttp -134.06 159.32 41.18 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' LYS . 4.0 m-20 -40.02 -88.11 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.143 -0.973 . . . . 0.0 110.907 -178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.89 -167.02 18.75 Favored Glycine 0 N--CA 1.486 2.0 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mt -90.36 144.06 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -1.064 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -77.64 152.4 33.86 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.62 162.11 36.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.553 -1.342 . . . . 0.0 111.398 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' NH2' " O3'" ' B' ' 112' ' ' ' DA' . 9.9 ptm180 -151.23 169.78 21.08 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.688 0.756 . . . . 0.0 110.622 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -65.94 140.22 58.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.646 -0.659 . . . . 0.0 110.367 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -66.92 126.82 30.31 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.524 -0.735 . . . . 0.0 110.365 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -65.15 -173.77 0.14 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.289 -0.882 . . . . 0.0 110.12 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -49.98 140.05 4.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -75.67 106.6 7.32 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.241 -0.984 . . . . 0.0 108.748 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.9 t -160.92 147.31 14.94 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.072 -1.017 . . . . 0.0 109.654 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -89.9 -79.05 0.35 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.169 -0.957 . . . . 0.0 109.081 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.84 -49.04 0.06 OUTLIER Glycine 0 N--CA 1.488 2.126 0 C-N-CA 119.559 -1.305 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.77 101.8 0.52 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.293 . . . . 0.0 109.661 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.65 -39.94 80.48 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -73.97 135.57 43.18 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.536 HH11 ' HG2' ' A' ' 66' ' ' ARG . 6.8 mmt-85 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 120.923 -1.111 . . . . 0.0 109.214 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.631 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.281 1 O4'-C1'-N19 111.264 4.33 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.064 1 O4'-C1'-N19 111.138 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.871 3.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.657 0 O4'-C1'-N19 110.683 3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.484 ' C8 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.267 3.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.442 1.694 1 O4'-C1'-N19 111.782 4.977 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.575 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.2 3.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.293 0 O4'-C1'-N19 110.998 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.476 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.454 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.147 1 O4'-C1'-N19 112.054 5.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 O4'-C1'-N19 110.49 3.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.549 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.562 1 O4'-C1'-N19 111.124 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.287 3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.549 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.917 3.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.458 ' N3 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.55 4.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.545 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.926 5.158 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.545 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.901 5.126 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.325 4.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.077 1 O4'-C1'-N19 111.289 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.491 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.33 1 O4'-C1'-N19 111.089 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.491 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 112.555 5.944 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.447 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.133 0 C3'-C2'-C1' 107.336 3.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-N19 111.276 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.403 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.501 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.501 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.613 1 O4'-C1'-N19 111.534 4.667 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O4'-C1'-N19 111.208 4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' A' ' 5' ' ' THR . 40.7 pttt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.512 0.672 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -61.35 -40.51 94.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.716 0.769 . . . . 0.0 109.651 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.25 8.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.855 -0.528 . . . . 0.0 111.135 -179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -11.19 56.51 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 9.0 m -62.1 120.21 10.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.054 -1.262 . . . . 0.0 110.386 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.88 141.8 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.7 t -63.86 115.12 4.53 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.634 -1.292 . . . . 0.0 110.294 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -60.08 -40.02 88.13 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.218 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -72.02 -39.84 68.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 0.0 112.259 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.2 p -130.37 12.99 5.54 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 120.532 -1.355 . . . . 0.0 112.184 -178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' N ' ' O ' ' A' ' 7' ' ' CYS . 68.8 mt-30 56.43 1.96 0.08 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.844 -1.16 . . . . 0.0 113.721 176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.417 HG22 ' SG ' ' A' ' 10' ' ' CYS . 10.7 t -64.97 158.34 25.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 119.973 -1.705 . . . . 0.0 108.356 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 9.31 4.26 Favored 'General case' 0 N--CA 1.512 2.635 0 O-C-N 120.995 -1.066 . . . . 0.0 109.746 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 49' ' ' ASP . 4.9 p -109.55 48.33 0.89 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 122.045 0.926 . . . . 0.0 108.656 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.534 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -76.66 148.12 37.06 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.32 -0.863 . . . . 0.0 111.521 -177.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -77.17 -36.82 54.78 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.1 tp -148.56 132.43 17.06 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.427 -0.796 . . . . 0.0 109.29 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.534 ' CZ3' HG21 ' A' ' 15' ' ' THR . 86.5 m95 -81.6 129.52 34.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.798 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.772 ' NH2' HD22 ' A' ' 29' ' ' ASN . 20.8 mmt180 -116.35 123.53 47.84 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.318 -0.864 . . . . 0.0 109.059 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -74.49 143.81 44.45 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.688 -1.882 . . . . 0.0 107.54 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -91.85 156.73 42.36 Favored Pre-proline 0 N--CA 1.503 2.187 0 O-C-N 120.911 -1.118 . . . . 0.0 109.699 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -49.17 -20.55 3.46 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.183 1.255 . . . . 0.0 112.724 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.0 ttm -96.75 -12.65 23.43 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.053 -1.029 . . . . 0.0 109.682 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.91 8.73 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -104.72 110.91 65.05 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.061 -1.258 . . . . 0.0 109.567 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -49.37 134.92 32.21 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 119.796 0.963 . . . . 0.0 112.786 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' ARG . 11.1 m -140.18 159.95 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.371 0 O-C-N 121.299 -0.876 . . . . 0.0 110.517 178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 p -83.36 156.38 23.04 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.204 -0.935 . . . . 0.0 108.624 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.772 HD22 ' NH2' ' A' ' 19' ' ' ARG . 22.7 t-20 -49.57 -42.17 43.64 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.084 -1.01 . . . . 0.0 111.582 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.37 -55.82 28.96 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.432 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 57.6 m -55.5 -48.38 74.72 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.712 -1.243 . . . . 0.0 110.403 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.32 -50.0 48.75 Favored Glycine 0 C--N 1.286 -2.241 0 C-N-CA 119.237 -1.459 . . . . 0.0 110.508 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.26 -54.55 14.12 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.905 -1.35 . . . . 0.0 110.964 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.58 ' CZ ' ' NE ' ' A' ' 42' ' ' ARG . 45.4 t80 -59.92 -46.14 90.33 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.526 -1.359 . . . . 0.0 110.175 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.446 ' CD1' ' HA ' ' A' ' 39' ' ' GLN . 20.9 t80 -59.02 -42.13 89.43 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.197 -0.939 . . . . 0.0 108.999 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -58.54 -46.16 87.41 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 120.902 -1.123 . . . . 0.0 110.147 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 -57.78 11.3 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 120.504 -1.372 . . . . 0.0 109.909 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 3.5 m-70 -96.01 -72.59 0.63 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.55 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 1.6 pt20 111.15 56.25 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 0 CA-C-O 122.399 1.095 . . . . 0.0 109.954 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m -141.82 156.64 20.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -86.85 141.39 28.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.126 -0.984 . . . . 0.0 109.789 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.58 ' NE ' ' CZ ' ' A' ' 34' ' ' TYR . 20.5 mmt180 -99.04 150.21 36.48 Favored Pre-proline 0 N--CA 1.508 2.442 0 O-C-N 120.662 -1.274 . . . . 0.0 109.391 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -64.77 44.42 0.14 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 CA-C-N 119.65 0.911 . . . . 0.0 112.296 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' ARG . 9.3 mp 45.74 25.73 0.3 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.526 -0.734 . . . . 0.0 110.89 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.451 ' H ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -73.38 -12.45 60.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.739 -1.226 . . . . 0.0 109.95 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mmm -98.53 -14.73 19.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.185 -0.947 . . . . 0.0 111.443 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 8.4 mmt180 -81.69 139.61 34.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.355 -1.465 . . . . 0.0 109.908 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -125.6 -151.99 0.5 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 14' ' ' THR . 42.9 m-20 -89.16 -84.25 0.22 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.417 -1.427 . . . . 0.0 108.112 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.34 -166.06 21.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.2 mt -91.9 144.16 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.142 -1.211 . . . . 0.0 109.987 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -72.13 149.24 44.92 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -140.11 157.57 45.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.916 -1.115 . . . . 0.0 110.662 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 51.1 mtt-85 -147.74 164.54 33.26 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.626 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -57.01 136.59 56.3 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 0.0 108.942 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.73 130.93 48.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.529 -0.732 . . . . 0.0 109.911 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -58.53 -170.59 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 110.304 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 m -61.58 141.43 17.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.444 -0.785 . . . . 0.0 109.021 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 m -90.2 111.63 22.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.158 -0.963 . . . . 0.0 108.715 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -107.35 116.74 32.48 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.693 0.758 . . . . 0.0 109.863 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -150.37 119.83 6.92 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -176.15 41.77 0.11 Allowed Glycine 0 N--CA 1.494 2.559 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.108 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.95 131.07 36.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.362 -1.081 . . . . 0.0 109.463 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -112.54 29.95 7.51 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.5 -0.75 . . . . 0.0 109.873 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -52.32 134.57 33.86 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.055 -1.028 . . . . 0.0 109.426 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.637 -179.581 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C1'-N19 110.182 2.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 0 O4'-C1'-N19 110.906 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 111.272 4.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 O4'-C1'-N19 110.669 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.817 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.964 0 P-O3'-C3' 123.322 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.609 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.444 1.832 1 O4'-C1'-N19 112.351 5.688 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.781 3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.406 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O4'-C1'-N19 110.858 3.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.488 1 O4'-C1'-N19 111.327 4.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.225 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 C4'-C3'-C2' 106.124 2.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.567 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.117 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.402 ' H72' " H2'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.94 1 O4'-C1'-N19 111.516 4.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.431 " H2'" ' N7 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.22 3.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.567 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.948 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 1 O4'-C1'-N19 111.238 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.457 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.439 4.549 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 112.223 5.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.604 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.707 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.259 1 O4'-C1'-N19 111.463 4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.507 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.542 3.813 0 O4'-C1'-N19 110.524 3.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.507 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 112.002 5.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.517 " C5'" ' HE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.362 0 C3'-C2'-C1' 107.335 3.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 1 O4'-C1'-N19 111.333 4.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.445 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.295 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C1'-N19 111.058 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.75 -4.04 34.36 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.203 -0.935 . . . . 0.0 109.215 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.78 114.81 12.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.148 -0.97 . . . . 0.0 110.023 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.04 -12.97 51.93 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -68.22 114.87 7.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.046 -1.267 . . . . 0.0 110.794 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.0 m -122.11 140.66 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLN . 49.3 t -63.44 119.07 9.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.21 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -62.08 -40.0 94.34 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.451 -0.78 . . . . 0.0 110.458 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' ND2' HG11 ' A' ' 27' ' ' VAL . 92.6 m-20 -74.43 -40.07 62.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.879 -1.138 . . . . 0.0 111.99 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG22 ' A' ' 12' ' ' THR . 12.1 p -128.57 12.7 6.42 Favored 'General case' 0 N--CA 1.514 2.772 0 O-C-N 120.46 -1.4 . . . . 0.0 112.452 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 98.6 mt-30 56.36 1.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 176.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' SG ' ' A' ' 10' ' ' CYS . 13.5 t -63.07 150.57 42.29 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.72 -1.863 . . . . 0.0 107.526 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 p -107.87 -10.01 15.62 Favored 'General case' 0 N--CA 1.508 2.433 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -99.32 122.41 42.43 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.452 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.9 p -146.23 149.42 33.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.225 -0.922 . . . . 0.0 109.113 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.401 HG21 " H2'" ' C' ' 124' ' ' ' DA' . 26.3 p -72.81 -39.85 66.3 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.4 tp -145.13 132.2 20.36 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.452 ' CZ3' HG21 ' A' ' 15' ' ' THR . 70.6 m95 -78.83 129.11 34.23 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 108.626 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.629 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.1 mmt-85 -117.98 129.87 55.85 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.821 -0.549 . . . . 0.0 109.905 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.06 147.66 30.03 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 158.77 40.55 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 120.871 -1.143 . . . . 0.0 109.006 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -53.13 -18.33 9.83 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.036 1.157 . . . . 0.0 111.577 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 94.1 mmm -92.7 -13.66 29.08 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.519 -0.738 . . . . 0.0 109.948 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.28 21.82 14.3 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -102.62 131.51 22.29 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.094 -1.239 . . . . 0.0 110.039 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -64.64 129.17 22.86 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 CA-C-N 120.163 1.094 . . . . 0.0 112.041 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.9 m -133.1 159.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.436 0 O-C-N 121.441 -0.787 . . . . 0.0 109.56 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 p -82.23 152.64 26.3 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.047 -1.033 . . . . 0.0 108.339 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.575 HD22 ' NH1' ' A' ' 19' ' ' ARG . 23.6 t-20 -49.84 -30.3 9.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.246 -0.909 . . . . 0.0 111.393 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HH12 ' A' ' 47' ' ' ARG . . . -71.95 -51.63 21.11 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.732 -1.23 . . . . 0.0 110.049 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HB3' HD22 ' A' ' 9' ' ' ASN . 56.6 m -59.39 -41.8 90.24 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.862 -1.149 . . . . 0.0 109.674 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.49 72.44 Favored Glycine 0 C--N 1.288 -2.103 0 C-N-CA 118.72 -1.705 . . . . 0.0 109.702 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' HD13 ' A' ' 37' ' ' LEU . 69.7 mt -73.04 -52.99 12.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.275 -1.132 . . . . 0.0 110.584 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.636 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 48.6 t80 -60.02 -43.82 95.03 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.873 -1.142 . . . . 0.0 109.922 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.5 t80 -63.6 -48.52 77.01 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.906 0.86 . . . . 0.0 109.48 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -60.05 -40.81 90.7 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 120.25 -1.531 . . . . 0.0 109.88 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.6 mp -72.78 -45.01 60.79 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.13 -0.981 . . . . 0.0 111.33 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.604 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 69.0 m-70 -108.63 -9.56 15.28 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.928 -1.108 . . . . 0.0 111.78 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.649 ' N ' ' O ' ' A' ' 35' ' ' TYR . 25.7 tt0 40.91 51.66 3.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.655 -1.278 . . . . 0.0 111.922 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -150.05 156.28 7.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 17.4 p-10 -85.6 124.34 32.04 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.613 -1.304 . . . . 0.0 110.649 -178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.642 HH11 ' CB ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.0 126.29 57.78 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.285 -0.885 . . . . 0.0 109.346 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 45' ' ' THR . 16.1 Cg_exo -48.42 152.05 4.22 Favored 'Trans proline' 0 N--CA 1.487 1.12 0 CA-C-N 120.086 1.067 . . . . 0.0 111.252 178.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.8 mp -65.65 29.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.376 -0.828 . . . . 0.0 111.084 -178.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.491 ' H ' ' C ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -67.87 -17.93 64.65 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.503 -1.373 . . . . 0.0 110.34 -179.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.578 ' C ' ' HE ' ' A' ' 47' ' ' ARG . 89.2 mtp -105.83 -5.38 19.84 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.212 -0.93 . . . . 0.0 111.824 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.654 ' HE ' ' N ' ' A' ' 47' ' ' ARG . 2.3 mmp_? -82.29 140.49 33.57 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.6 -1.313 . . . . 0.0 111.356 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -134.72 159.01 42.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -45.35 -83.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.12 -0.988 . . . . 0.0 110.122 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.4 -173.17 16.04 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.19 150.83 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.172 -1.193 . . . . 0.0 109.521 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -79.25 149.73 31.77 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.43 162.61 36.92 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.65 -1.281 . . . . 0.0 111.25 -178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -151.73 162.04 41.67 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.534 0.683 . . . . 0.0 110.35 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 55' ' ' ASN . 49.9 p-10 -50.63 144.97 7.29 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.554 ' CB ' HH11 ' A' ' 56' ' ' ARG . 0.0 OUTLIER -61.54 122.6 15.65 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.237 -0.914 . . . . 0.0 109.965 -178.494 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -61.54 -169.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 109.947 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.03 150.82 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.391 -0.818 . . . . 0.0 109.628 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.9 p -80.0 143.13 34.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.105 -0.997 . . . . 0.0 109.408 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -143.97 127.7 17.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.374 -0.829 . . . . 0.0 108.978 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -104.82 130.34 52.96 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.477 -0.764 . . . . 0.0 110.286 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.5 5.07 60.29 Favored Glycine 0 N--CA 1.499 2.877 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -61.56 -40.0 93.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.983 -1.304 . . . . 0.0 110.003 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -148.18 148.78 30.93 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.989 -1.069 . . . . 0.0 109.501 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 65' ' ' ARG . 32.6 mtt-85 -97.58 14.28 27.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.365 -0.834 . . . . 0.0 109.533 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.353 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.606 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 111.366 4.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.202 4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.803 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.604 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.403 1 O4'-C1'-N19 112.379 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.571 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.603 3.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 0 O4'-C1'-N19 110.445 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.521 1 O4'-C1'-N19 111.146 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.188 0 O4'-C1'-N19 110.741 3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.971 1 O4'-C1'-N19 112.106 5.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.99 0 O4'-C1'-N19 110.335 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.333 1 O4'-C1'-N19 111.328 4.41 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.542 1 O4'-C1'-N19 111.134 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.794 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.418 0 O4'-C1'-N19 110.203 3.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.16 1 O4'-C1'-N19 111.586 4.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.565 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.419 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.565 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 112.58 5.975 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.595 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.209 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.236 1 O4'-C1'-N19 111.498 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.441 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.753 1 O4'-C1'-N19 111.518 4.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.615 4.768 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.433 " H5'" ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.577 0 C3'-C2'-C1' 107.494 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . 0.476 ' OP1' ' NZ ' ' A' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.45 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.232 0 O4'-C1'-N19 110.484 3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.893 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.447 4.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER -57.18 -25.8 59.57 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.102 -0.999 . . . . 0.0 110.123 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.59 118.32 13.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.597 -1.314 . . . . 0.0 109.899 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' VAL . . . 133.4 -22.59 3.93 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 107.59 -2.204 . . . . 0.0 107.59 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' CH2' ' A' ' 18' ' ' TRP . 13.2 m -47.96 91.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 15.5 m -63.28 140.26 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 120.105 -1.622 . . . . 0.0 110.976 -177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -60.17 122.89 15.56 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.679 0.752 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -60.1 -40.06 88.32 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.648 -0.657 . . . . 0.0 110.365 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.417 HD22 ' HB3' ' A' ' 31' ' ' CYS . 98.8 m-20 -80.28 -38.74 30.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.763 -1.211 . . . . 0.0 112.323 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -130.36 16.89 5.47 Favored 'General case' 0 N--CA 1.511 2.589 0 CA-C-N 120.446 1.475 . . . . 0.0 112.636 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 57.22 -2.26 0.05 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.885 -1.134 . . . . 0.0 113.918 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 t -60.06 140.07 57.08 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 119.704 -1.873 . . . . 0.0 108.433 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -103.44 -9.88 19.02 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.3 p -99.33 119.98 38.82 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 HG21 ' CH2' ' A' ' 18' ' ' TRP . 3.2 p -147.1 151.23 36.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.262 -0.899 . . . . 0.0 109.518 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.6 p -75.45 -37.57 60.22 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.898 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.5 tp -147.83 132.58 17.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 5' ' ' THR . 42.1 m95 -81.58 131.68 35.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.035 -1.04 . . . . 0.0 109.976 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.898 ' NH1' HD23 ' A' ' 17' ' ' LEU . 19.9 mmt180 -117.01 123.23 46.39 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -88.8 86.75 7.03 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.006 -1.684 . . . . 0.0 107.887 178.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -31.76 157.85 0.03 OUTLIER Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 121.615 -0.678 . . . . 0.0 112.213 -177.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -49.14 -9.81 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.747 1.631 . . . . 0.0 113.614 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.5 mtm -99.35 -13.64 19.52 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.076 -1.015 . . . . 0.0 109.919 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 27.22 15.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -105.41 143.64 27.2 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.097 -1.237 . . . . 0.0 108.556 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -74.33 127.22 10.98 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 120.758 0.972 . . . . 0.0 113.305 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.35 156.66 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.607 0 O-C-N 121.282 -0.886 . . . . 0.0 108.689 177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 p -81.47 151.86 27.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.617 -1.302 . . . . 0.0 109.923 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.707 HD21 HH21 ' A' ' 19' ' ' ARG . 41.6 t-20 -46.81 -32.93 4.03 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.525 -0.734 . . . . 0.0 111.952 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.38 -47.98 37.74 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 120.516 -1.365 . . . . 0.0 110.798 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 9' ' ' ASN . 28.6 m -58.69 -41.94 87.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.84 -1.162 . . . . 0.0 110.605 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.59 -46.18 94.4 Favored Glycine 0 N--CA 1.486 1.995 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.332 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.72 -49.45 58.76 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.082 -1.246 . . . . 0.0 109.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 31.4 t80 -60.03 -45.48 92.66 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.888 -1.132 . . . . 0.0 109.878 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.652 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.9 t80 -63.2 -46.86 85.05 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.4 -0.812 . . . . 0.0 110.642 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -60.08 -42.22 94.16 Favored 'General case' 0 C--N 1.292 -1.929 0 O-C-N 120.16 -1.588 . . . . 0.0 110.766 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.57 -40.06 73.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.855 -1.153 . . . . 0.0 111.579 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 87.8 m-70 -113.62 -9.86 13.18 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.924 -1.11 . . . . 0.0 112.091 -178.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.652 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 tt0 41.18 54.8 3.36 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.578 -1.326 . . . . 0.0 111.685 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.5 m -148.9 154.17 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -85.84 126.34 33.97 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.091 . . . . 0.0 109.138 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -100.5 134.64 20.52 Favored Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.274 -0.891 . . . . 0.0 109.824 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 45' ' ' THR . 12.2 Cg_exo -48.47 152.04 4.3 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 CA-C-N 119.94 1.014 . . . . 0.0 112.05 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.9 mp -62.62 18.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.363 -0.835 . . . . 0.0 110.793 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.545 ' H ' ' C ' ' A' ' 43' ' ' PRO . 32.6 p -67.13 -15.93 64.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.637 -1.289 . . . . 0.0 109.648 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.58 -5.28 39.56 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.116 -0.99 . . . . 0.0 109.552 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -80.35 126.39 31.1 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.263 -0.898 . . . . 0.0 111.813 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' ASP . 19.2 ttmm -125.17 138.61 54.14 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' LYS . 65.8 t0 -40.21 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.205 -0.934 . . . . 0.0 110.679 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.48 -175.02 21.69 Favored Glycine 0 N--CA 1.494 2.554 0 O-C-N 120.953 -1.092 . . . . 0.0 110.572 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.57 139.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -1.087 . . . . 0.0 108.986 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -72.59 149.1 44.27 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.81 46.38 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.746 -1.221 . . . . 0.0 110.54 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 54' ' ' ARG . 24.6 mmm-85 -145.81 167.44 23.19 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.521 0.677 . . . . 0.0 109.726 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.98 136.06 57.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.343 -0.848 . . . . 0.0 108.804 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' CZ ' " H5'" ' C' ' 126' ' ' ' DC' . 31.7 tpt180 -59.09 130.0 44.88 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.337 -0.852 . . . . 0.0 111.268 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 57' ' ' LYS . 50.8 pttt -64.58 -169.68 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.77 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.7 m -60.97 142.06 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.307 -0.871 . . . . 0.0 109.5 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -85.43 111.95 20.42 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.148 -0.97 . . . . 0.0 108.485 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -117.36 120.35 37.92 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.451 -0.781 . . . . 0.0 109.804 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' NZ ' ' OP1' ' C' ' 127' ' ' ' DT' . 68.4 mmtt -102.19 118.65 37.33 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.43 162.65 32.97 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -155.45 155.12 32.96 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.422 -1.046 . . . . 0.0 108.195 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -60.07 -42.78 95.31 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.065 -1.022 . . . . 0.0 108.372 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -106.27 128.89 54.3 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.325 -0.859 . . . . 0.0 108.944 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.16 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 0 O4'-C1'-N19 110.885 3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.718 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.686 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.539 3.513 0 C3'-C2'-C1' 106.927 3.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.096 1 O4'-C1'-N19 112.134 5.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.548 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.389 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 1 O4'-C1'-N19 111.738 4.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.404 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.513 1 O4'-C1'-N19 112.544 5.93 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.834 0 C3'-C2'-C1' 106.66 2.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.579 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.537 1 O4'-C1'-N19 111.258 4.323 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.276 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.774 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.579 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.878 1 O4'-C1'-N19 111.047 4.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.975 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.542 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.865 5.081 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.542 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 112.128 5.411 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.726 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.463 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.548 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.469 1 O4'-C1'-N19 111.177 4.221 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.441 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.857 1 O4'-C1'-N19 112.621 6.026 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.454 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.156 0 C3'-C2'-C1' 107.287 3.276 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.477 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.819 0 O4'-C1'-N19 110.935 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 111.529 4.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.161 1 O4'-C1'-N19 111.053 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -61.52 -40.07 93.3 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.52 122.38 6.21 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.31 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.19 -9.98 65.03 Favored Glycine 0 N--CA 1.496 2.643 0 O-C-N 121.202 -0.936 . . . . 0.0 111.378 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -66.58 115.38 6.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.774 -1.427 . . . . 0.0 110.505 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.39 140.78 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.3 t -61.88 117.06 5.4 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.856 -1.152 . . . . 0.0 110.888 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.23 -40.0 88.69 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.812 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -74.52 -39.88 62.1 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.916 -1.115 . . . . 0.0 112.016 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.3 p -130.29 15.59 5.58 Favored 'General case' 0 N--CA 1.509 2.524 0 O-C-N 120.677 -1.264 . . . . 0.0 112.935 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 7' ' ' CYS . 66.2 mt-30 57.21 -1.79 0.06 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.774 -1.204 . . . . 0.0 113.157 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -62.4 151.99 35.44 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 119.918 -1.739 . . . . 0.0 108.982 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -127.92 6.21 6.03 Favored 'General case' 0 N--CA 1.511 2.617 0 O-C-N 121.052 -1.03 . . . . 0.0 109.215 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.703 ' O ' HD11 ' A' ' 51' ' ' ILE . 10.1 p -105.37 49.84 0.8 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.27 -0.893 . . . . 0.0 108.749 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.522 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -79.36 148.18 32.13 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.339 -0.851 . . . . 0.0 111.993 -176.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.5 p -76.62 -39.88 51.09 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 2.9 tp -145.26 132.37 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.522 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.3 m95 -81.18 130.31 34.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.684 -1.26 . . . . 0.0 110.347 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.748 HH21 ' ND2' ' A' ' 29' ' ' ASN . 20.1 mmt180 -117.5 122.49 43.87 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.436 -0.79 . . . . 0.0 108.992 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -70.04 141.25 52.89 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 119.934 -1.729 . . . . 0.0 106.508 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -86.14 151.58 54.45 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 120.757 -1.214 . . . . 0.0 109.321 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -47.0 -24.67 3.38 Favored 'Trans proline' 0 N--CA 1.49 1.314 0 C-N-CA 121.05 1.166 . . . . 0.0 113.055 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.5 ptm -92.16 -14.64 28.78 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.168 -0.957 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.47 25.07 8.39 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.12 113.58 62.21 Favored Pre-proline 0 N--CA 1.496 1.832 0 O-C-N 121.053 -1.263 . . . . 0.0 109.146 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -48.96 135.58 29.25 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.146 1.088 . . . . 0.0 112.868 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG11 ' ND2' ' A' ' 9' ' ' ASN . 4.4 m -138.88 160.13 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 121.429 -0.795 . . . . 0.0 109.871 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.3 153.2 25.96 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.748 ' ND2' HH21 ' A' ' 19' ' ' ARG . 20.7 t-20 -38.58 -43.66 0.89 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.768 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -47.59 48.26 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.783 -1.198 . . . . 0.0 112.184 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' HB3' HD22 ' A' ' 9' ' ' ASN . 56.2 m -61.59 -46.13 91.16 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.442 -1.411 . . . . 0.0 109.582 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.78 -54.73 31.4 Favored Glycine 0 N--CA 1.485 1.966 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.317 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.75 -47.09 82.41 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.16 -1.2 . . . . 0.0 110.069 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -59.99 -45.17 93.61 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.596 -1.315 . . . . 0.0 110.323 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 39' ' ' GLN . 13.6 t80 -66.08 -46.91 76.02 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.729 0.776 . . . . 0.0 110.749 -178.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.04 -40.94 91.1 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 120.048 -1.658 . . . . 0.0 109.898 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -71.04 -40.67 71.57 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.999 -1.063 . . . . 0.0 111.375 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.726 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.8 m-70 -117.82 0.98 12.08 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.936 -1.102 . . . . 0.0 112.065 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.686 ' N ' ' O ' ' A' ' 35' ' ' TYR . 23.5 pt20 35.11 41.44 0.07 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 120.943 -1.098 . . . . 0.0 113.131 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.5 m -140.38 155.46 23.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -85.63 159.31 19.87 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.224 -0.922 . . . . 0.0 108.608 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.589 HH11 ' HG2' ' A' ' 42' ' ' ARG . 1.1 ptt-85 -140.31 151.11 63.49 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 120.714 -1.241 . . . . 0.0 109.071 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -45.35 151.03 1.04 Allowed 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 120.614 0.876 . . . . 0.0 112.116 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 44' ' ' LEU . 9.4 mp -79.06 -19.94 50.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.296 -0.878 . . . . 0.0 110.54 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.7 t -50.97 -7.33 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.09 -1.006 . . . . 0.0 109.693 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' LEU . 24.1 ttt -76.51 -39.47 52.96 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.047 -1.033 . . . . 0.0 110.078 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.625 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -75.7 156.23 34.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.421 -0.799 . . . . 0.0 110.005 -178.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -104.24 -172.47 2.11 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.92 3.82 53.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.374 -0.829 . . . . 0.0 108.77 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.39 179.79 29.47 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.703 HD11 ' O ' ' A' ' 14' ' ' THR . 15.9 mt -85.95 139.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.701 -1.47 . . . . 0.0 108.464 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.93 144.2 31.11 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.087 0.946 . . . . 0.0 111.292 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.1 155.75 49.5 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -151.32 163.42 38.94 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -56.29 136.54 53.2 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 82.6 mtt180 -66.25 134.55 52.91 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.447 -0.783 . . . . 0.0 110.4 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -65.19 -169.67 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.109 -0.994 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -59.96 148.1 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.275 -0.891 . . . . 0.0 109.522 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.0 p -75.61 154.21 36.82 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.085 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.4 t -152.6 155.62 37.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.416 -0.803 . . . . 0.0 109.141 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 63' ' ' LYS . 59.5 pttt -142.91 159.96 41.24 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.359 -0.838 . . . . 0.0 108.832 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.79 84.65 0.01 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.325 -0.941 . . . . 0.0 110.879 -178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 61' ' ' LYS . 82.8 tttt -119.99 112.06 18.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.492 -1.005 . . . . 0.0 108.949 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' C ' ' H ' ' A' ' 66' ' ' ARG . 60.2 mmtt -146.84 171.03 15.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.292 -0.88 . . . . 0.0 109.287 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' A' ' 65' ' ' ARG . 35.4 mtm-85 -65.91 35.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.39 -0.819 . . . . 0.0 109.7 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 64' ' ' LYS . 42.0 ttp180 . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.785 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C1'-N19 110.689 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.448 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.448 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.402 3.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.254 1 O4'-C1'-N19 111.116 4.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.717 3.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.711 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.485 3.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.593 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.45 2.327 1 O4'-C1'-N19 112.793 6.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.463 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.023 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.666 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.61 1 O4'-C1'-N19 111.873 5.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 1 O4'-C1'-N19 111.415 4.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.572 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.122 2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.452 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.341 4.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 1 O4'-C1'-N19 111.41 4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.878 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.909 3.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.55 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.542 4.678 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.543 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.01 1 O4'-C1'-N19 111.996 5.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.543 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 112.116 5.394 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.632 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.078 0 O4'-C1'-N19 110.732 3.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.463 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C1' 1.45 2.281 1 O4'-C1'-N19 111.27 4.338 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.499 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.545 4.266 0 O5'-C5'-C4' 114.819 3.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.499 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.125 1 O4'-C1'-N19 112.045 5.307 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.427 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.682 0 C3'-C2'-C1' 107.387 3.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.179 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.103 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.811 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.225 4.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 5' ' ' THR . 78.2 tttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -70.09 -34.4 73.09 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.1 118.8 3.45 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.342 -0.849 . . . . 0.0 110.924 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -10.06 62.33 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 121.179 -0.951 . . . . 0.0 111.273 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.0 m -67.74 111.82 4.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.755 -1.438 . . . . 0.0 110.388 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.0 m -120.82 140.75 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' GLN . 41.8 t -61.15 118.12 6.42 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.68 -1.262 . . . . 0.0 110.563 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -60.02 -39.96 87.63 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.097 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.4 m-20 -77.24 -38.73 50.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.965 -1.084 . . . . 0.0 112.155 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.9 p -129.61 15.82 5.94 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.024 1.284 . . . . 0.0 112.946 -177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' CYS . 94.6 mt-30 55.33 -1.88 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.621 -1.299 . . . . 0.0 113.543 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -62.49 150.35 40.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 119.994 -1.691 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.6 p -123.93 4.01 8.72 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.073 -1.017 . . . . 0.0 109.305 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.518 ' O ' HD11 ' A' ' 51' ' ' ILE . 11.1 p -102.76 51.45 0.8 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.375 -0.828 . . . . 0.0 109.895 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.509 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -80.28 145.94 31.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 0.0 111.632 -177.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.454 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 7.2 p -74.35 -39.92 62.47 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 5.1 tp -144.28 131.92 21.15 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.7 m95 -79.24 129.96 34.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.024 -1.047 . . . . 0.0 110.534 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.666 ' NH1' HD23 ' A' ' 17' ' ' LEU . 6.4 mmt-85 -120.11 132.4 55.41 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.788 -0.57 . . . . 0.0 110.717 -179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -83.44 145.99 28.66 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.502 -1.374 . . . . 0.0 107.574 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.9 162.51 28.62 Favored Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.036 -1.04 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -50.9 -24.57 14.0 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.179 1.253 . . . . 0.0 113.304 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.1 mtt -94.14 -6.15 45.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.003 -1.061 . . . . 0.0 109.436 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.38 28.07 18.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -100.13 115.25 65.68 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.147 -1.208 . . . . 0.0 109.724 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -51.25 122.61 10.38 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 120.191 1.104 . . . . 0.0 112.286 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.6 m -129.99 160.02 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 O-C-N 121.609 -0.682 . . . . 0.0 110.087 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 20.9 p -81.38 154.08 26.63 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.268 -0.895 . . . . 0.0 108.773 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -49.71 -29.93 8.39 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.157 -0.964 . . . . 0.0 111.749 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.673 ' HB3' HH21 ' A' ' 47' ' ' ARG . . . -74.91 -50.95 15.1 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.493 -1.38 . . . . 0.0 110.803 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.6 m -58.19 -44.65 88.18 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 120.535 -1.353 . . . . 0.0 109.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.9 -49.3 67.38 Favored Glycine 0 C--N 1.291 -1.941 0 C-N-CA 119.391 -1.385 . . . . 0.0 110.202 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.71 -48.96 62.51 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.105 -1.232 . . . . 0.0 109.607 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' OH ' ' NE ' ' A' ' 42' ' ' ARG . 64.4 t80 -60.03 -48.21 82.66 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.179 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.659 ' O ' ' N ' ' A' ' 39' ' ' GLN . 23.4 t80 -60.54 -46.07 91.52 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.739 0.781 . . . . 0.0 110.489 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.0 -40.77 90.36 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 120.1 -1.625 . . . . 0.0 110.093 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -71.55 -48.27 49.66 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.128 -0.982 . . . . 0.0 111.202 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.632 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 90.2 m-70 -106.68 -10.97 15.95 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.068 -1.02 . . . . 0.0 112.27 -177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.659 ' N ' ' O ' ' A' ' 35' ' ' TYR . 44.0 tt0 44.48 51.13 7.98 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.373 -1.454 . . . . 0.0 111.931 178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -147.96 153.88 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 120.843 -1.16 . . . . 0.0 108.472 177.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 25.9 p30 -84.53 135.48 34.2 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' NE ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -123.55 128.2 25.28 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.011 -1.055 . . . . 0.0 110.016 -177.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -42.31 152.47 0.17 Allowed 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.299 1.333 . . . . 0.0 114.086 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.4 mp -63.98 -9.99 18.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.811 -0.556 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' LEU . 44.4 p -45.12 -21.61 0.08 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.871 -1.143 . . . . 0.0 109.548 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.4 ttt -77.47 -42.71 34.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.481 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.673 HH21 ' HB3' ' A' ' 30' ' ' ALA . 26.1 mtt-85 -80.82 162.94 23.79 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 110.368 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -116.42 -160.14 0.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.494 0.664 . . . . 0.0 109.887 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.3 3.98 54.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.432 -0.792 . . . . 0.0 109.654 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.65 179.72 29.73 Favored Glycine 0 N--CA 1.495 2.607 0 N-CA-C 108.784 -1.727 . . . . 0.0 108.784 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 14' ' ' THR . 4.6 mt -87.15 132.75 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.866 -1.373 . . . . 0.0 108.7 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -72.68 142.32 48.24 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.537 -0.727 . . . . 0.0 109.543 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.93 158.45 44.32 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.565 -1.334 . . . . 0.0 109.708 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -146.34 163.66 34.84 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.777 0.799 . . . . 0.0 110.383 -179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -55.23 139.29 42.77 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 3.9 tpp180 -58.37 123.17 15.21 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.542 -0.724 . . . . 0.0 109.696 -178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.8 -173.06 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.514 -0.741 . . . . 0.0 110.326 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.32 136.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.607 -0.683 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 m -86.7 111.26 20.52 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.075 -1.016 . . . . 0.0 108.997 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.0 t -112.37 57.1 0.65 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.6 -0.688 . . . . 0.0 109.331 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.49 -39.95 95.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.454 -0.779 . . . . 0.0 109.761 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.57 157.71 29.09 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -174.22 14.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.999 -1.063 . . . . 0.0 109.873 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.64 143.69 42.09 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.34 -179.391 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 1 O4'-C1'-N19 111.198 4.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.731 3.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 O4'-C1'-N19 110.489 3.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.819 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.199 0 O4'-C1'-N19 110.222 3.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.559 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.116 1 O4'-C1'-N19 112.343 5.679 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.494 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.772 1 O4'-C1'-N19 111.485 4.606 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 O4'-C1'-N19 110.922 3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.509 1 O4'-C1'-N19 111.436 4.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.794 1 O4'-C1'-N19 111.794 4.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.791 0 C3'-C2'-C1' 107.039 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.571 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.888 0 O4'-C1'-N19 110.913 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.443 ' H71' " H2'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 0 O4'-C1'-N19 110.785 3.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.886 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 C3'-C2'-C1' 106.97 3.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.571 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.821 3.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.116 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.47 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.97 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.47 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 1 O4'-C1'-N19 112.094 5.368 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.658 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.528 2.144 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.629 ' OP1' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . 0 O4'--C1' 1.451 2.401 1 O4'-C1'-N19 111.424 4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.494 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.606 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.449 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.247 1 O4'-C1'-N19 112.875 6.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.404 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.141 0 C3'-C2'-C1' 107.366 3.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.388 4.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 0 O4'-C1'-N19 110.798 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 C3'-C2'-C1' 106.982 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.698 4.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.559 4.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.475 ' O ' ' OG1' ' A' ' 5' ' ' THR . 59.8 mttp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.714 ' CD ' ' HE1' ' A' ' 18' ' ' TRP . 10.6 tpt180 -68.6 -39.68 80.78 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 121.475 0.655 . . . . 0.0 109.32 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.43 118.33 2.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.419 -0.801 . . . . 0.0 111.095 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.69 -11.62 55.7 Favored Glycine 0 N--CA 1.499 2.871 0 O-C-N 121.257 -0.902 . . . . 0.0 111.874 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.6 m -64.12 116.41 5.91 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.561 -1.553 . . . . 0.0 110.025 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.3 m -121.95 142.26 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 12' ' ' THR . 20.0 t -60.51 116.78 4.58 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.703 -1.248 . . . . 0.0 110.751 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -59.99 -40.06 87.85 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.669 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -79.17 -38.12 36.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 112.625 -177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.546 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.2 p -129.21 5.53 5.29 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 121.057 1.753 . . . . 0.0 113.68 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 57.05 46.21 19.65 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.288 -1.507 . . . . 0.0 112.503 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' HB3' ' A' ' 7' ' ' CYS . 13.3 t -101.85 148.31 25.47 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 173.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -120.39 9.8 11.06 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 121.105 1.775 . . . . 0.0 108.715 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 9.5 p -115.36 49.78 1.05 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.543 -0.723 . . . . 0.0 109.765 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.491 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.3 p -77.49 149.75 34.97 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.053 -1.03 . . . . 0.0 111.591 -177.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -78.82 -41.12 31.03 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.848 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.6 tp -142.76 131.01 22.07 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.714 ' HE1' ' CD ' ' A' ' 2' ' ' ARG . 83.1 m95 -81.49 130.37 35.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.888 -1.133 . . . . 0.0 110.023 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.848 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -114.92 119.23 35.82 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.359 -0.838 . . . . 0.0 109.33 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -70.02 142.86 52.7 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.58 159.83 37.87 Favored Pre-proline 0 N--CA 1.504 2.238 0 O-C-N 120.931 -1.106 . . . . 0.0 110.109 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.03 -21.55 12.66 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.002 1.135 . . . . 0.0 112.372 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.8 mtt -96.04 -12.9 24.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.311 -0.868 . . . . 0.0 109.915 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.66 26.32 13.5 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 6.0 m-20 -105.4 109.92 63.75 Favored Pre-proline 0 N--CA 1.495 1.778 0 O-C-N 121.046 -1.267 . . . . 0.0 108.741 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.09 129.58 15.41 Favored 'Trans proline' 0 N--CA 1.503 2.038 0 C-N-CA 120.9 1.066 . . . . 0.0 113.523 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.81 162.01 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.526 0 O-C-N 121.532 -0.73 . . . . 0.0 110.051 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.4 p -83.67 155.99 22.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.989 -1.069 . . . . 0.0 111.465 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.708 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.6 t-20 -46.58 -33.61 4.28 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.855 -0.528 . . . . 0.0 111.234 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.629 ' HB1' ' OP1' ' C' ' 123' ' ' ' DT' . . . -74.31 -54.38 7.77 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.907 -1.12 . . . . 0.0 110.738 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.1 m -55.83 -45.32 78.4 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.717 -1.239 . . . . 0.0 109.98 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.92 -49.29 55.46 Favored Glycine 0 C--N 1.287 -2.17 0 C-N-CA 118.794 -1.669 . . . . 0.0 110.048 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -72.82 -49.58 29.48 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 110.223 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' NH1' ' A' ' 42' ' ' ARG . 60.8 t80 -59.99 -48.01 83.49 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.615 -1.303 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.1 t80 -61.02 -47.58 85.77 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.548 0.69 . . . . 0.0 109.817 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -60.01 -42.9 95.3 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 120.388 -1.445 . . . . 0.0 110.407 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.03 -40.0 75.43 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.034 -1.041 . . . . 0.0 111.592 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.658 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.1 m-70 -117.43 -0.36 11.97 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 121.058 -1.026 . . . . 0.0 112.494 -177.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.2 pt20 36.62 46.39 0.45 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.637 -1.289 . . . . 0.0 113.236 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -142.0 153.42 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.106 -0.996 . . . . 0.0 108.418 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.2 p30 -86.79 132.29 33.89 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 120.992 -1.068 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.596 ' NH1' ' CD1' ' A' ' 34' ' ' TYR . 8.7 ptm180 -104.94 150.67 38.97 Favored Pre-proline 0 N--CA 1.504 2.243 0 O-C-N 121.142 -0.974 . . . . 0.0 110.209 -179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -60.49 151.45 75.01 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 121.371 1.381 . . . . 0.0 112.857 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 10' ' ' CYS . 8.7 mp -72.95 -6.28 44.23 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.52 -0.738 . . . . 0.0 111.283 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 p -54.42 -9.91 0.35 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.727 -1.233 . . . . 0.0 109.441 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' LEU . 17.8 ttt -91.79 -21.51 20.64 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.418 -0.801 . . . . 0.0 110.47 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -76.67 148.15 37.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.036 -1.04 . . . . 0.0 110.157 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -142.05 163.5 32.71 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.194 -0.941 . . . . 0.0 109.791 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.51 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.639 -0.663 . . . . 0.0 112.232 -177.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.33 -171.7 13.06 Favored Glycine 0 N--CA 1.498 2.787 0 O-C-N 121.29 -0.882 . . . . 0.0 111.152 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.8 mt -91.26 147.26 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.645 -0.914 . . . . 0.0 109.758 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -73.58 144.0 46.2 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.735 . . . . 0.0 110.114 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.82 153.67 48.39 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.778 -1.201 . . . . 0.0 109.962 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -147.46 162.0 39.92 Favored 'General case' 0 N--CA 1.497 1.883 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.582 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -54.78 139.32 39.95 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 57' ' ' LYS . 91.9 mtt180 -67.4 134.76 52.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.365 -0.834 . . . . 0.0 109.866 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 56' ' ' ARG . 55.2 pttt -55.33 -170.51 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.155 -0.965 . . . . 0.0 109.849 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.12 139.13 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.252 -0.905 . . . . 0.0 108.56 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.3 p -83.96 129.72 34.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 0.0 108.82 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.5 t -136.3 124.61 23.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.411 -0.806 . . . . 0.0 109.628 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -110.86 132.84 53.87 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -49.44 99.26 0.02 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -68.4 -37.0 79.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -1.191 . . . . 0.0 108.537 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -146.47 148.54 32.35 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -160.71 141.54 11.69 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.048 -1.032 . . . . 0.0 109.188 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 117.812 -1.089 . . . . 0.0 109.247 179.722 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.558 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.456 0 O4'-C1'-N19 110.911 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 1 O4'-C1'-N19 111.113 4.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.248 1 O4'-C1'-N19 111.158 4.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.516 3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.817 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.564 3.455 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.572 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.527 1.956 1 O4'-C1'-N19 111.864 5.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.508 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.94 3.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.456 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.027 4.034 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 2.703 1 O4'-C1'-N19 111.449 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 O4'-C1'-N19 110.411 3.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.206 1 O4'-C1'-N19 111.632 4.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 C3'-C2'-C1' 107.094 3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.666 4.833 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O4'-C1'-N19 111.539 4.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.289 3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 O4'-C1'-N19 111.381 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.45 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.196 1 O4'-C1'-N19 111.005 4.006 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.45 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.94 5.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.957 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.464 ' P ' HH12 ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.489 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.48 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.37 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.48 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C1'-N19 112.185 5.481 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.442 ' N4 ' ' O6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.528 0 C3'-C2'-C1' 107.384 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.206 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.493 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.796 3.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.858 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.446 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 5' ' ' THR . 68.3 mmtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HD3' ' HE1' ' A' ' 18' ' ' TRP . 10.0 mtt180 -92.47 -9.24 42.18 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.119 -0.988 . . . . 0.0 109.271 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.61 118.58 15.71 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.617 -0.677 . . . . 0.0 110.999 -179.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.76 -12.8 39.72 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 6.4 m -61.57 119.97 9.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.115 -1.226 . . . . 0.0 110.739 -178.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -122.51 141.69 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.9 t -66.86 118.27 10.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.47 -1.394 . . . . 0.0 110.803 -179.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 m -60.01 -40.07 87.99 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.673 -0.642 . . . . 0.0 110.322 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.462 HD22 ' HB3' ' A' ' 31' ' ' CYS . 98.9 m-20 -75.97 -39.25 56.37 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.967 -1.083 . . . . 0.0 112.897 -177.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 p -129.27 15.18 6.16 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.597 1.544 . . . . 0.0 111.922 -179.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 26.1 mp0 56.85 2.0 0.09 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.947 -1.095 . . . . 0.0 113.392 177.109 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 t -64.41 149.96 47.36 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.943 -1.723 . . . . 0.0 108.845 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -111.02 -3.82 15.37 Favored 'General case' 0 N--CA 1.51 2.571 0 O-C-N 121.375 -0.828 . . . . 0.0 109.236 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.0 p -107.23 122.26 46.18 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 178.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.404 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -146.61 149.5 33.65 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.095 -1.003 . . . . 0.0 109.829 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.3 p -74.22 -40.02 62.71 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.942 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.1 tp -146.51 131.45 18.15 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.044 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.45 ' HE1' ' HD3' ' A' ' 2' ' ' ARG . 86.6 m95 -81.96 129.95 34.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.744 -1.223 . . . . 0.0 109.239 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.942 ' NH1' HD23 ' A' ' 17' ' ' LEU . 15.2 mmt180 -112.89 119.06 36.65 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.147 -0.971 . . . . 0.0 109.241 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 21' ' ' SER . 19.7 mmt180 -87.42 87.01 7.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.207 -1.558 . . . . 0.0 109.427 179.525 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -34.04 157.68 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.741 -0.599 . . . . 0.0 111.048 -178.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -57.08 -5.92 1.62 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.098 1.199 . . . . 0.0 112.773 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 tpp -95.7 -16.21 22.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.184 -0.948 . . . . 0.0 108.651 179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.21 24.57 18.94 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -104.01 133.52 20.2 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 120.922 -1.34 . . . . 0.0 108.731 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.79 133.52 23.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 119.811 0.968 . . . . 0.0 113.411 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 9' ' ' ASN . 3.6 m -139.77 160.3 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.502 0 O-C-N 121.47 -0.769 . . . . 0.0 109.126 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.8 p -83.11 154.61 24.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.597 -1.314 . . . . 0.0 109.298 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.734 ' ND2' HH21 ' A' ' 19' ' ' ARG . 50.3 t-20 -49.74 -32.68 14.2 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.254 -0.904 . . . . 0.0 110.721 -177.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.75 -54.24 14.64 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.53 -1.356 . . . . 0.0 110.094 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB3' HD22 ' A' ' 9' ' ' ASN . 59.4 m -57.81 -45.54 85.97 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.884 -1.135 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.0 47.13 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.333 -1.413 . . . . 0.0 110.177 -178.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD11 ' OD1' ' A' ' 29' ' ' ASN . 49.7 mt -68.13 -49.43 61.14 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.193 -1.181 . . . . 0.0 110.38 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.455 ' CB ' ' NH1' ' A' ' 42' ' ' ARG . 22.0 t80 -60.18 -42.62 95.39 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.471 -1.393 . . . . 0.0 109.598 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.624 ' O ' ' N ' ' A' ' 39' ' ' GLN . 31.4 t80 -63.99 -49.96 70.42 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.638 0.732 . . . . 0.0 110.211 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -59.92 -39.92 87.09 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.257 -1.527 . . . . 0.0 110.686 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.04 -49.43 77.7 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.42 -1.425 . . . . 0.0 108.217 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 72.0 m-70 -101.58 -71.36 0.72 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' N ' ' O ' ' A' ' 35' ' ' TYR . 13.4 tt0 110.04 56.85 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.029 0 CA-C-O 122.015 0.912 . . . . 0.0 108.962 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.0 159.69 4.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 52.3 p-10 -75.66 151.12 37.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.909 -1.119 . . . . 0.0 109.43 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 HH12 ' P ' ' C' ' 123' ' ' ' DT' . 10.8 ptm180 -123.95 151.27 64.7 Favored Pre-proline 0 N--CA 1.503 2.221 0 O-C-N 121.007 -1.058 . . . . 0.0 109.663 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 45' ' ' THR . 8.1 Cg_endo -61.85 150.7 84.96 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 120.822 1.014 . . . . 0.0 112.369 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 44' ' ' LEU . 11.0 mp -69.39 18.96 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.193 -0.942 . . . . 0.0 110.501 -179.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 43' ' ' PRO . 21.2 p -66.09 -16.04 63.6 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.065 -1.022 . . . . 0.0 108.658 179.116 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 85.4 mmm -99.34 -5.1 30.26 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.533 -0.729 . . . . 0.0 109.53 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -80.57 125.47 30.03 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 110.828 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' ASP . 86.1 tttt -127.54 146.02 50.66 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' LYS . 21.7 t70 -41.79 -85.61 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 110.62 -179.002 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.42 -169.96 36.21 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.389 -1.085 . . . . 0.0 110.389 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mt -92.92 139.98 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.976 . . . . 0.0 109.99 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -76.17 155.57 34.46 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.1 158.99 43.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.039 -1.038 . . . . 0.0 110.226 -179.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -151.25 167.32 28.21 Favored 'General case' 0 N--CA 1.493 1.725 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.248 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -52.99 139.04 28.91 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.274 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -71.91 137.07 47.14 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.688 0.756 . . . . 0.0 112.154 -177.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -44.86 157.86 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.746 -0.596 . . . . 0.0 109.447 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.65 137.55 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 120.807 -1.183 . . . . 0.0 108.121 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.0 p -71.66 141.51 49.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.614 -1.303 . . . . 0.0 109.404 -178.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.1 t -150.47 141.21 22.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.24 -0.913 . . . . 0.0 109.915 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -119.62 135.08 54.95 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.85 4.99 63.63 Favored Glycine 0 N--CA 1.497 2.742 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -63.47 -39.92 95.75 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.178 -1.189 . . . . 0.0 110.642 -179.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.32 -80.03 0.4 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.308 -0.87 . . . . 0.0 110.062 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -86.97 147.08 25.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.998 -1.064 . . . . 0.0 108.918 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.595 -179.511 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.61 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.467 0 O4'-C1'-N19 110.812 3.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.726 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C1'-N19 110.666 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.529 2.293 0 C4'-C3'-C2' 106.256 3.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.566 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.049 1 O4'-C1'-N19 112.705 6.131 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.56 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.43 ' H71' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.506 1 O4'-C1'-N19 112.149 5.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 112.181 5.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 0 O4'-C1'-N19 110.053 2.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.738 4.922 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.482 4.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.823 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.457 0 O4'-C1'-N19 110.551 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.573 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.215 1 O4'-C1'-N19 111.155 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.512 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 1 O4'-C1'-N19 112.226 5.533 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.512 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 112.062 5.327 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.633 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.457 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 O4'--C1' 1.45 2.271 1 O4'-C1'-N19 111.101 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.024 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.945 5.181 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.564 3.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.753 1 O4'-C1'-N19 111.581 4.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.255 0 O4'-C1'-N19 110.705 3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.545 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.461 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 1 O4'-C1'-N19 111.132 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 5' ' ' THR . 40.5 mtmt . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.565 0.698 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -65.55 -35.62 81.4 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.97 118.61 3.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.597 -0.689 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.05 -9.42 66.38 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.066 -1.022 . . . . 0.0 110.976 178.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 10.2 m -69.33 114.8 7.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.815 -1.403 . . . . 0.0 110.33 -179.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -118.58 141.76 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.8 t -60.05 118.81 6.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.74 -1.225 . . . . 0.0 111.216 -178.384 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 m -59.99 -40.07 87.89 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.9 m-20 -76.26 -38.91 55.6 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 120.985 -1.072 . . . . 0.0 111.825 -178.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -130.74 10.59 5.12 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 120.264 1.393 . . . . 0.0 112.975 -178.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.0 mt-30 61.47 4.49 0.99 Allowed 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 175.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -65.46 163.47 15.79 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 119.953 -1.717 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -135.37 15.74 3.44 Favored 'General case' 0 N--CA 1.512 2.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.027 178.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 28.0 p -120.36 48.48 1.58 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-O 121.882 0.848 . . . . 0.0 108.95 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.504 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.9 p -75.11 150.01 38.92 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 121.142 -0.974 . . . . 0.0 112.289 -176.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 p -75.0 -43.36 54.33 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 5.6 tp -144.21 130.94 20.17 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CZ3' HG21 ' A' ' 15' ' ' THR . 82.1 m95 -79.85 129.94 34.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.128 -0.982 . . . . 0.0 109.95 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.739 HH21 ' ND2' ' A' ' 29' ' ' ASN . 23.4 mmt180 -117.92 122.48 43.39 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 0.0 108.94 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -71.91 142.42 49.48 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 119.656 -1.903 . . . . 0.0 107.595 178.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -90.4 156.68 45.54 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.178 -0.951 . . . . 0.0 108.946 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -49.07 -22.79 5.5 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.037 1.158 . . . . 0.0 112.977 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.9 tpp -92.64 -10.22 38.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.913 -1.117 . . . . 0.0 109.606 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.9 26.42 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.3 m-20 -101.32 112.67 65.4 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.476 -1.014 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -50.4 139.11 37.69 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 CA-C-N 120.215 1.112 . . . . 0.0 113.209 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.533 HG11 ' ND2' ' A' ' 9' ' ' ASN . 6.5 m -139.8 161.64 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.37 0 O-C-N 121.472 -0.767 . . . . 0.0 109.651 178.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 p -83.49 154.69 23.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.881 -1.137 . . . . 0.0 109.577 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.739 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.4 t-20 -43.34 -40.79 3.77 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.798 -0.564 . . . . 0.0 112.178 -178.019 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.24 42.16 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.486 -1.384 . . . . 0.0 111.95 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB3' HD22 ' A' ' 9' ' ' ASN . 53.5 m -57.8 -43.36 85.61 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.646 -1.284 . . . . 0.0 110.514 -178.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.0 -49.48 66.83 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 119.439 -1.363 . . . . 0.0 110.152 -177.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.93 -48.12 69.6 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.276 -1.132 . . . . 0.0 110.184 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.474 ' CE2' ' OP1' ' C' ' 122' ' ' ' DT' . 55.3 t80 -59.96 -40.12 87.93 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.807 -1.183 . . . . 0.0 108.836 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.663 ' O ' ' N ' ' A' ' 39' ' ' GLN . 22.6 t80 -68.17 -50.22 55.9 Favored 'General case' 0 C--O 1.199 -1.578 0 O-C-N 121.71 -0.619 . . . . 0.0 111.499 -178.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' HG3' HD12 ' A' ' 37' ' ' LEU . 50.4 pttt -60.52 -39.67 88.64 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 119.774 -1.829 . . . . 0.0 110.116 -178.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD12 ' HG3' ' A' ' 36' ' ' LYS . 7.7 mp -64.31 -42.01 96.56 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.013 -1.054 . . . . 0.0 111.784 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 81.4 m-70 -123.02 -3.52 8.58 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.95 -1.094 . . . . 0.0 111.545 -177.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.7 tt0 42.38 56.44 3.72 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.539 -1.351 . . . . 0.0 111.633 178.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.39 153.1 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -86.46 129.55 34.82 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.121 -0.987 . . . . 0.0 110.532 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 42' ' ' ARG . 3.8 ttt-85 -104.45 133.17 20.34 Favored Pre-proline 0 N--CA 1.503 2.189 0 O-C-N 121.27 -0.894 . . . . 0.0 109.421 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' THR . 15.5 Cg_exo -48.35 152.46 3.79 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 120.954 1.103 . . . . 0.0 114.013 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.5 mp -60.9 5.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.753 -0.592 . . . . 0.0 110.428 179.749 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' PRO . 64.5 p -60.91 -14.53 22.94 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.86 -1.15 . . . . 0.0 109.077 179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.457 ' SD ' ' OP1' ' C' ' 123' ' ' ' DT' . 9.9 ttt -100.0 -7.78 24.68 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.576 -0.703 . . . . 0.0 109.343 -179.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -78.4 132.39 37.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.409 -0.807 . . . . 0.0 110.712 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -124.23 139.89 53.49 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -43.57 -86.29 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.119 -0.988 . . . . 0.0 110.32 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.95 -174.14 21.42 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 14' ' ' THR . 2.8 mt -91.07 142.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.054 -1.262 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -78.97 153.79 30.07 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.01 165.22 27.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.979 -1.075 . . . . 0.0 111.165 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -149.57 163.15 38.64 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.995 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.87 138.79 57.72 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.26 -0.9 . . . . 0.0 108.808 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -63.81 130.33 43.74 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.354 -0.842 . . . . 0.0 110.36 -179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -58.73 -173.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.404 -0.81 . . . . 0.0 109.587 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.95 142.35 12.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.1 p -79.54 117.9 20.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.042 -1.036 . . . . 0.0 109.82 -179.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -160.1 150.66 18.72 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -81.78 146.99 29.64 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.402 -0.811 . . . . 0.0 108.847 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.49 123.81 6.65 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -100.01 110.0 22.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.31 -1.111 . . . . 0.0 109.56 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -67.91 -36.23 79.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.066 -1.021 . . . . 0.0 109.035 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.28 143.18 50.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.674 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.567 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.306 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.412 " H2'" ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.412 ' H72' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.417 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.897 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.391 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.441 ' OP1' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.179 0 O4'-C1'-N19 110.669 3.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.767 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.575 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.527 2.028 1 O4'-C1'-N19 111.755 4.943 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.575 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.795 3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.475 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 1 O4'-C1'-N19 111.51 4.638 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.433 ' OP1' ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.425 0 C3'-C2'-C1' 107.223 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 111.382 4.478 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.221 4.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.816 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.439 3.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.537 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.236 1 O4'-C1'-N19 111.093 4.117 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 1 O4'-C1'-N19 111.943 5.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.55 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.619 4.774 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.55 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.725 4.907 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.467 ' OP1' ' CD2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.285 1 O4'-C1'-N19 111.019 4.024 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.333 1 O4'-C1'-N19 111.59 4.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.515 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.702 1 O4'-C1'-N19 111.3 4.375 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.515 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C1'-N19 112.055 5.318 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.968 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.904 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.511 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.743 0 O4'-C1'-N19 110.641 3.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.659 1 O4'-C1'-N19 111.66 4.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.374 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.448 ' O ' ' OG1' ' A' ' 5' ' ' THR . 56.1 mtpt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.607 ' H ' ' NE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -64.29 -39.28 93.61 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.413 179.849 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.04 119.63 4.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.7 -0.625 . . . . 0.0 111.161 -178.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.36 -8.87 69.33 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 178.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 4.6 m -66.28 117.76 9.01 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.837 -1.39 . . . . 0.0 110.914 -178.487 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.62 140.76 43.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' GLN . 47.1 t -63.91 117.59 7.2 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.367 -1.458 . . . . 0.0 109.339 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -60.89 -40.0 91.37 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.318 -0.864 . . . . 0.0 110.321 -179.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -73.55 -39.22 64.88 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.823 -1.173 . . . . 0.0 112.005 -178.207 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.33 14.64 6.12 Favored 'General case' 0 N--CA 1.509 2.503 0 CA-C-N 120.003 1.274 . . . . 0.0 112.23 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.4 mm-40 55.08 -0.34 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.874 -1.141 . . . . 0.0 113.097 177.302 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -60.45 145.25 48.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 119.958 -1.714 . . . . 0.0 107.963 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.18 -6.9 15.4 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.377 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -101.77 120.13 39.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.436 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 6.5 p -144.49 146.96 32.7 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 0.0 109.127 -179.485 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 p -73.2 -39.97 65.13 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 8.9 tp -144.62 131.84 20.62 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ3' HG21 ' A' ' 15' ' ' THR . 74.8 m95 -79.6 130.41 35.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.005 -1.059 . . . . 0.0 110.146 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 21.7 mmt180 -111.73 179.66 3.95 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.41 -0.806 . . . . 0.0 109.655 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -130.82 140.13 50.24 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.19 159.81 36.64 Favored Pre-proline 0 N--CA 1.504 2.242 0 O-C-N 120.828 -1.17 . . . . 0.0 109.376 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -53.94 -13.36 4.4 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 120.957 1.104 . . . . 0.0 112.089 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.5 ttm -98.85 -11.34 21.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.427 -0.796 . . . . 0.0 109.66 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.74 27.87 15.74 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 2.5 m-20 -102.25 114.01 65.63 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.196 -1.179 . . . . 0.0 109.258 179.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -48.95 137.04 28.71 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 CA-C-N 120.041 1.05 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 19' ' ' ARG . 1.9 m -140.89 159.8 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 121.505 -0.747 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 p -84.14 155.26 22.68 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.795 -1.19 . . . . 0.0 110.032 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.719 ' ND2' HH21 ' A' ' 19' ' ' ARG . 43.0 t-20 -45.04 -35.06 2.78 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.353 -0.842 . . . . 0.0 111.412 -178.042 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.19 -50.22 16.93 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.855 -1.153 . . . . 0.0 111.555 -179.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' HD22 ' A' ' 9' ' ' ASN . 39.5 m -57.84 -41.56 82.57 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.577 -1.327 . . . . 0.0 110.549 -178.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.94 73.12 Favored Glycine 0 C--N 1.292 -1.901 0 C-N-CA 119.069 -1.538 . . . . 0.0 110.677 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.9 mt -68.9 -45.43 70.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.983 -1.304 . . . . 0.0 109.563 -179.387 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -60.0 -49.33 78.11 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 120.942 -1.099 . . . . 0.0 108.939 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.6 t80 -64.18 -47.78 78.51 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.532 0.682 . . . . 0.0 110.539 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -59.93 -41.85 92.7 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.215 -1.553 . . . . 0.0 110.025 -178.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.15 -39.94 75.07 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.163 -0.96 . . . . 0.0 111.684 -179.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' VAL . 88.7 m-70 -121.54 5.35 10.11 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.943 -1.098 . . . . 0.0 112.286 -178.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.647 ' N ' ' O ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER 30.41 48.72 0.06 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.045 -1.034 . . . . 0.0 113.44 179.759 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 38' ' ' HIS . 12.1 m -141.95 150.73 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 108.814 178.124 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.07 135.31 34.46 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.852 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -120.21 149.99 50.52 Favored Pre-proline 0 N--CA 1.504 2.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.912 -179.037 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -43.4 152.7 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.159 1.24 . . . . 0.0 113.172 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.0 mp -82.16 4.39 23.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.505 -0.747 . . . . 0.0 109.678 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.6 p -55.03 -6.43 0.13 Allowed 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.549 -0.719 . . . . 0.0 109.526 -179.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -90.43 -18.22 25.8 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.174 -0.954 . . . . 0.0 110.686 -179.532 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -80.49 137.7 36.49 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.871 -1.143 . . . . 0.0 111.203 -178.805 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.4 mtpt -128.67 151.31 49.66 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -52.23 3.96 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.066 -1.021 . . . . 0.0 112.255 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -153.78 175.28 32.15 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 120.363 -1.461 . . . . 0.0 110.228 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.9 mt -86.32 134.39 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.006 -1.291 . . . . 0.0 108.018 178.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -69.95 148.69 48.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.242 -0.911 . . . . 0.0 108.71 179.225 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.78 155.02 48.52 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.727 -1.233 . . . . 0.0 110.273 -179.47 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH2' ' OP1' ' B' ' 113' ' ' ' DC' . 7.6 tpt180 -150.94 165.71 32.85 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.227 -179.347 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -52.89 139.44 27.27 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -62.43 130.02 43.3 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.822 0.82 . . . . 0.0 112.079 -177.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -43.64 162.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.869 -0.52 . . . . 0.0 109.68 178.77 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.36 146.45 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -85.55 109.99 18.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.759 -1.213 . . . . 0.0 108.702 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.2 t -127.97 134.09 49.25 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 7.5 ttpm? -88.69 127.77 35.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.142 -0.974 . . . . 0.0 108.942 179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.86 24.13 2.42 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -178.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' H ' ' HG2' ' A' ' 61' ' ' LYS . 16.2 ttmm -154.67 57.89 0.68 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.971 -1.311 . . . . 0.0 109.529 179.841 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.93 -40.03 75.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.265 -0.897 . . . . 0.0 109.845 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -144.37 140.07 28.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -0.936 . . . . 0.0 109.097 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.5 mtm-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.555 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.177 2.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.073 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.539 ' C2 ' ' N2 ' ' C' ' 128' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.665 3.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.548 ' C6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.187 1 O4'-C1'-N19 112.354 5.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.548 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.292 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.435 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.52 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 1 O4'-C1'-N19 111.835 5.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.207 0 C3'-C2'-C1' 106.835 2.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.306 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.5 ' C2 ' ' C2 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.63 1 O4'-C1'-N19 111.838 5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.298 4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.429 ' C8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.249 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.534 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 1 O4'-C1'-N19 111.586 4.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.519 ' C2 ' ' C2 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 112.179 5.473 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.519 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.936 1 O4'-C1'-N19 112.018 5.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.496 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.241 1 O4'-C1'-N19 111.423 4.528 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.414 H2'' ' C8 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.447 2.102 1 O4'-C1'-N19 111.514 4.643 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.549 ' H8 ' " O5'" ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.822 0 O5'-C5'-C4' 115.0 3.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.543 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.99 5.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 0 O4'-C1'-N19 110.611 3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.433 4.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.539 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.243 3.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.516 3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.96 3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 1 O4'-C1'-N19 111.228 4.284 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.01 0 O4'-C1'-N19 110.897 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.577 ' HG2' ' HE1' ' A' ' 18' ' ' TRP . 3.5 mpt_? -89.18 36.8 0.83 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.147 -0.971 . . . . 0.0 108.785 -179.665 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 122.99 17.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.316 -0.865 . . . . 0.0 111.494 -178.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.32 -22.64 6.03 Favored Glycine 0 N--CA 1.495 2.604 0 O-C-N 121.363 -0.836 . . . . 0.0 112.152 177.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -68.57 113.64 6.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.566 -1.55 . . . . 0.0 110.754 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -119.22 141.14 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 46.2 t -63.62 119.19 9.39 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.774 -1.204 . . . . 0.0 110.505 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -59.98 -40.02 87.69 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.706 -0.621 . . . . 0.0 110.399 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' HG11 ' A' ' 27' ' ' VAL . 15.9 m120 -74.67 -39.8 61.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.849 -1.157 . . . . 0.0 112.148 -177.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.9 p -130.1 9.47 5.28 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.638 -1.289 . . . . 0.0 112.355 -178.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 18.2 tt0 61.66 0.03 0.45 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.573 -1.329 . . . . 0.0 112.498 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 t -61.25 142.35 56.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 119.756 -1.84 . . . . 0.0 108.739 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -105.11 -8.6 18.33 Favored 'General case' 0 N--CA 1.508 2.449 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.0 p -100.78 121.18 41.25 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.1 p -147.16 150.85 35.76 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.069 -1.019 . . . . 0.0 109.974 -179.08 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 HG21 " H2'" ' C' ' 124' ' ' ' DA' . 71.8 p -77.43 -39.07 48.16 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 177.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD23 ' CZ ' ' A' ' 19' ' ' ARG . 4.8 tp -146.7 131.59 18.1 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.45 -0.782 . . . . 0.0 108.983 178.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.577 ' HE1' ' HG2' ' A' ' 2' ' ' ARG . 78.1 m95 -80.3 129.47 34.52 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.757 HH21 ' ND2' ' A' ' 29' ' ' ASN . 21.5 mmt180 -115.25 119.11 35.23 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.053 -1.029 . . . . 0.0 109.334 -179.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -68.26 141.08 55.99 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.065 -1.647 . . . . 0.0 106.648 178.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.66 156.19 45.22 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.0 -1.063 . . . . 0.0 109.262 -179.351 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -50.01 -22.15 7.32 Favored 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 120.766 0.977 . . . . 0.0 112.637 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmt -91.43 -10.61 40.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.106 -0.996 . . . . 0.0 110.06 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.21 30.74 10.52 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -110.11 112.16 57.73 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.399 -1.059 . . . . 0.0 109.451 -179.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -50.92 133.28 39.83 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 CA-C-N 120.093 1.069 . . . . 0.0 113.303 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' ARG . 8.1 m -136.42 160.16 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.419 0 O-C-N 121.681 -0.637 . . . . 0.0 109.483 178.067 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -82.71 155.75 24.14 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.945 -1.097 . . . . 0.0 109.6 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.757 ' ND2' HH21 ' A' ' 19' ' ' ARG . 30.2 t-20 -45.44 -41.82 9.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.589 -0.694 . . . . 0.0 111.425 -178.391 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.29 -54.43 29.32 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.824 -1.173 . . . . 0.0 110.927 -178.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -58.49 -43.31 88.96 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.804 -1.185 . . . . 0.0 109.954 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.06 20.4 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.339 -1.41 . . . . 0.0 110.07 -178.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.7 mt -62.53 -50.37 71.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.512 -0.993 . . . . 0.0 111.336 -179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.585 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 50.0 t80 -60.75 -43.53 97.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.775 -1.203 . . . . 0.0 109.871 -179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.2 t80 -61.69 -48.85 78.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.139 -0.976 . . . . 0.0 109.538 -179.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -43.31 95.1 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 120.015 -1.678 . . . . 0.0 110.108 -179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 mp -70.78 -42.02 70.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.981 -1.074 . . . . 0.0 111.553 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 25.2 m-70 -112.96 -13.81 13.08 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.978 -1.076 . . . . 0.0 111.847 -177.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' TYR . 40.2 tt0 44.72 58.34 3.99 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.532 -1.355 . . . . 0.0 111.715 179.15 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -150.69 149.81 13.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -85.77 137.75 32.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.308 -0.87 . . . . 0.0 108.796 179.4 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -120.54 151.3 53.81 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.179 -0.95 . . . . 0.0 109.743 -178.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.0 Cg_endo -62.45 152.86 74.71 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 121.472 1.448 . . . . 0.0 113.66 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 HH11 ' A' ' 47' ' ' ARG . 11.0 mp -65.0 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.519 -0.738 . . . . 0.0 111.096 -179.674 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 43' ' ' PRO . 6.2 t -69.91 -17.42 63.33 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.884 -1.135 . . . . 0.0 109.298 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 68.8 mmm -100.15 -2.3 34.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.17 -0.956 . . . . 0.0 109.499 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.574 HH11 HD23 ' A' ' 44' ' ' LEU . 73.5 ttt180 -77.69 129.57 35.7 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.427 -0.795 . . . . 0.0 110.404 -179.063 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -130.5 155.49 46.39 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.67 -83.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.82 -1.175 . . . . 0.0 110.794 -178.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.13 -171.82 35.9 Favored Glycine 0 N--CA 1.497 2.722 0 O-C-N 120.934 -1.104 . . . . 0.0 111.164 -178.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mt -91.98 146.13 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.546 -0.973 . . . . 0.0 109.346 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.4 155.7 27.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.512 -0.742 . . . . 0.0 109.225 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.19 158.52 44.02 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.738 -1.226 . . . . 0.0 109.706 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 54' ' ' ARG . 3.2 tpm_? -149.93 155.63 40.32 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -55.42 138.38 46.15 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.044 -1.035 . . . . 0.0 108.48 179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -61.92 129.49 41.18 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 110.306 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -57.1 -171.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.834 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.66 135.05 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -78.61 121.05 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -132.71 142.41 49.04 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.412 -0.805 . . . . 0.0 109.76 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -129.03 137.85 51.56 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.61 81.71 1.56 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -68.0 -37.52 81.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -1.178 . . . . 0.0 110.121 -179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -157.07 -39.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.833 -1.167 . . . . 0.0 111.262 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -109.79 126.06 53.38 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.152 -0.968 . . . . 0.0 109.54 -179.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.372 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C1'-N19 110.828 3.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.866 3.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C1'-N19 111.306 4.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.53 ' OP2' ' NE ' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.28 1 O4'-C1'-N19 111.223 4.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.83 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.049 0 O4'-C1'-N19 110.55 3.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.574 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 2.025 1 O4'-C1'-N19 111.812 5.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.475 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.073 1 O4'-C1'-N19 111.576 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 111.14 4.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.456 2.773 1 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.799 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 112.196 5.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.683 0 O4'-C1'-N19 110.07 2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.548 ' C2 ' ' N2 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.55 1 O4'-C1'-N19 111.025 4.031 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 1 O4'-C1'-N19 111.498 4.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.108 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.775 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.992 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.513 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.588 1 O4'-C1'-N19 111.611 4.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.56 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.018 1 O4'-C1'-N19 111.906 5.132 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.56 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 112.247 5.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.626 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.458 ' OP1' ' SD ' ' A' ' 46' ' ' MET . . . . . . . . 0 C5'--C4' 1.531 2.483 1 O4'-C1'-N19 111.322 4.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.401 H2'' " O5'" ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.489 1 O4'-C1'-N19 111.269 4.336 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.498 ' C4 ' ' N4 ' ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.245 1 O4'-C1'-N19 113.118 6.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.498 ' N4 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.207 0 C3'-C2'-C1' 107.304 3.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.445 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 C3'-C2'-C1' 107.045 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . 0.474 ' C6 ' ' C6 ' ' C' ' 131' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.141 1 O4'-C1'-N19 111.343 4.429 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . 0.474 ' C6 ' ' C6 ' ' C' ' 130' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' A' ' 5' ' ' THR . 51.7 tttp . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' NE ' ' OP2' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -99.85 -0.57 39.41 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.336 -0.852 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.73 113.77 14.75 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.916 -1.115 . . . . 0.0 109.983 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -10.13 51.69 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 8.2 m -66.19 118.53 10.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.913 -1.345 . . . . 0.0 110.095 -178.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -119.13 137.75 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.1 119.42 7.8 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.664 -1.273 . . . . 0.0 110.063 -179.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.9 m -59.96 -40.03 87.65 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.726 -0.609 . . . . 0.0 110.289 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.401 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.5 m-20 -76.76 -39.48 51.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.016 -1.052 . . . . 0.0 113.142 -177.254 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 p -129.53 11.28 5.76 Favored 'General case' 0 N--CA 1.509 2.499 0 CA-C-N 120.357 1.435 . . . . 0.0 111.881 -178.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 59.76 0.41 0.24 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.036 -1.04 . . . . 0.0 112.987 177.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -60.34 142.25 55.06 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.032 -1.668 . . . . 0.0 107.961 179.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -106.12 -9.16 17.09 Favored 'General case' 0 N--CA 1.51 2.557 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.6 p -99.34 119.69 38.36 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 178.168 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.446 HG21 ' CH2' ' A' ' 18' ' ' TRP . 5.8 p -143.75 146.35 33.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.391 -0.818 . . . . 0.0 109.488 -179.159 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.438 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 4.4 p -77.35 -40.61 43.41 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.892 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.4 tp -144.46 128.31 17.36 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CH2' HG21 ' A' ' 15' ' ' THR . 88.5 m95 -79.81 130.57 35.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.776 -1.203 . . . . 0.0 109.552 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.892 ' NH1' HD23 ' A' ' 17' ' ' LEU . 17.0 mmt180 -115.34 119.16 35.35 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.171 -0.955 . . . . 0.0 109.891 -179.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.46 141.94 53.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 119.881 -1.762 . . . . 0.0 106.733 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 159.17 38.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 120.798 -1.189 . . . . 0.0 110.468 -178.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -51.59 -23.7 15.53 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.678 1.585 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.5 mtt -94.14 -11.75 29.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.264 -0.898 . . . . 0.0 109.111 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.73 32.92 7.73 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -109.89 110.92 58.91 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.126 -1.22 . . . . 0.0 109.385 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -49.23 130.28 24.2 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 120.766 0.977 . . . . 0.0 113.663 -179.251 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 19' ' ' ARG . 6.6 m -134.57 161.19 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.354 0 O-C-N 121.757 -0.589 . . . . 0.0 109.672 178.511 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.89 157.83 22.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.892 -1.13 . . . . 0.0 110.372 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.672 ' ND2' HH21 ' A' ' 19' ' ' ARG . 40.9 t-20 -48.56 -33.98 10.63 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.38 -0.825 . . . . 0.0 111.762 -177.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.42 -52.04 15.13 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.391 -1.443 . . . . 0.0 111.013 -179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.3 m -57.06 -46.24 82.61 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.75 -50.1 55.46 Favored Glycine 0 N--CA 1.484 1.872 0 C-N-CA 119.465 -1.35 . . . . 0.0 110.557 -177.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.1 mt -70.04 -47.99 59.75 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.214 -1.168 . . . . 0.0 110.781 -179.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.14 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.726 -1.234 . . . . 0.0 109.446 -179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.631 ' O ' ' N ' ' A' ' 39' ' ' GLN . 15.3 t80 -64.99 -46.91 79.47 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.516 0.674 . . . . 0.0 111.102 -178.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -58.79 -43.33 90.47 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.109 -1.619 . . . . 0.0 111.157 -178.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.97 -40.43 75.37 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.913 -1.117 . . . . 0.0 111.819 -178.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.626 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 60.4 m-70 -117.8 3.96 12.24 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.032 -1.043 . . . . 0.0 111.843 -177.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.631 ' N ' ' O ' ' A' ' 35' ' ' TYR . 20.3 pt20 32.27 43.54 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.936 -1.102 . . . . 0.0 113.227 178.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 38' ' ' HIS . 15.0 m -139.55 154.57 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.086 -1.009 . . . . 0.0 108.815 177.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -85.31 150.16 24.95 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.778 ' H ' ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -134.16 150.27 73.72 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 120.953 -1.092 . . . . 0.0 109.892 -178.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' THR . 17.3 Cg_exo -46.47 153.14 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.092 1.195 . . . . 0.0 113.702 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' HG ' ' HE ' ' A' ' 47' ' ' ARG . 11.1 mp -75.79 31.78 0.11 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.515 -0.741 . . . . 0.0 109.376 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' PRO . 11.5 t -66.84 -12.43 59.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.129 -0.982 . . . . 0.0 110.201 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.458 ' SD ' ' OP1' ' C' ' 123' ' ' ' DT' . 42.7 mtt -99.31 -17.6 17.97 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.965 -1.084 . . . . 0.0 110.271 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.49 HH22 ' NE ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -81.19 129.28 34.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.079 -1.013 . . . . 0.0 111.312 -178.371 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' ASP . 17.4 tptp -130.36 -140.24 0.22 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' LYS . 21.8 m-20 -93.34 -87.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.103 -0.998 . . . . 0.0 109.068 179.011 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.36 -166.67 29.83 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.94 136.8 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.486 -1.008 . . . . 0.0 110.237 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -72.72 150.01 43.25 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 158.07 45.12 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 120.559 -1.338 . . . . 0.0 110.68 -179.075 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -145.57 162.5 37.3 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.878 0.847 . . . . 0.0 110.125 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -60.36 141.36 56.37 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.546 0.689 . . . . 0.0 110.467 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -66.96 130.43 43.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.535 -0.728 . . . . 0.0 110.021 179.808 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HD2' ' H ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -54.78 -168.18 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.794 . . . . 0.0 109.694 179.037 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.3 m -59.78 141.19 16.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.1 p -69.98 149.97 47.18 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.783 -1.198 . . . . 0.0 109.744 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.6 t -147.92 139.62 23.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.451 -0.781 . . . . 0.0 109.629 -179.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -171.55 -27.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.2 -31.07 79.45 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.091 -1.603 . . . . 0.0 109.091 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -60.0 138.26 57.89 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.439 -1.036 . . . . 0.0 109.316 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -141.22 157.53 45.12 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.93 153.28 48.51 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.515 -0.741 . . . . 0.0 109.473 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 66' ' ' ARG . 24.4 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.216 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 111.183 4.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.428 " H2'" ' H71' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.305 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.428 ' H71' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.983 0 O4'-C1'-N19 110.211 3.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.602 4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.354 1 O4'-C1'-N19 111.111 4.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.777 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.374 0 O4'-C1'-N19 110.743 3.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.602 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.443 1.804 1 O4'-C1'-N19 112.271 5.589 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.534 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.034 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.368 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . 0.447 ' N6 ' ' O4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.101 4.127 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.201 1 O4'-C1'-N19 111.742 4.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.414 " H5'" HH21 ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.507 0 C3'-C2'-C1' 107.06 3.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 111.325 4.407 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.469 4.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 0 O4'-C1'-N19 110.81 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.441 ' H8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.608 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.075 4.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.41 ' C8 ' ' H71' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 1 O4'-C1'-N19 112.282 5.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 111' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.528 1 O4'-C1'-N19 112.861 6.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.537 ' OP2' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.527 2.042 1 O4'-C1'-N19 111.472 4.59 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.428 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.26 1 O4'-C1'-N19 111.092 4.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.546 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.546 4.408 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 ' C4 ' ' C5 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.749 1 O4'-C1'-N19 112.122 5.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.728 ' P ' ' HE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.725 0 C3'-C2'-C1' 106.913 3.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . 0.483 ' P ' ' OG ' ' A' ' 60' ' ' SER . . . . . . . . 0 C5'--C4' 1.534 2.869 1 O4'-C1'-N19 111.798 4.998 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.538 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 O4'-C1'-N19 110.961 3.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 111.042 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.522 1 O4'-C1'-N19 111.143 4.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.182 1 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' O ' ' OG1' ' A' ' 5' ' ' THR . 66.4 mttm . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.597 HH11 ' HE1' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -60.2 -41.97 94.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.449 -0.782 . . . . 0.0 111.588 -177.968 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.68 113.34 1.27 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.061 -1.024 . . . . 0.0 111.378 -178.174 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -4.54 83.29 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.333 -0.854 . . . . 0.0 111.356 178.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 5.2 m -67.42 119.2 11.86 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.921 -1.34 . . . . 0.0 111.384 -178.368 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 m -121.05 141.57 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 11' ' ' GLN . 51.2 t -63.68 119.66 10.32 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 120.51 -1.369 . . . . 0.0 110.93 -178.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.0 m -60.02 -39.17 84.92 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.809 -0.557 . . . . 0.0 109.735 179.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' OD1' HG11 ' A' ' 27' ' ' VAL . 11.6 m120 -76.63 -39.35 52.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.951 -1.093 . . . . 0.0 112.257 -178.088 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 p -130.18 13.34 5.64 Favored 'General case' 0 N--CA 1.508 2.445 0 CA-C-N 120.278 1.399 . . . . 0.0 112.519 -178.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.7 mp0 56.92 2.07 0.1 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.879 -1.138 . . . . 0.0 113.71 176.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -61.72 158.63 15.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 119.999 -1.688 . . . . 0.0 107.837 178.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 p -135.54 16.22 3.39 Favored 'General case' 0 N--CA 1.507 2.411 0 O-C-N 120.901 -1.125 . . . . 0.0 109.011 178.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.5 p -117.33 48.96 1.25 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.463 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.5 p -80.06 150.62 30.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.053 -1.03 . . . . 0.0 111.143 -176.629 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.47 HG22 HG21 ' A' ' 51' ' ' ILE . 41.5 p -79.96 -34.84 38.37 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 177.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.777 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 3.9 tp -142.91 130.44 21.23 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.597 ' HE1' HH11 ' A' ' 2' ' ' ARG . 54.3 m95 -83.11 126.95 33.14 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.985 -1.072 . . . . 0.0 109.478 -179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.758 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.5 mmt-85 -115.62 125.88 53.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.78 -179.293 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -79.23 143.61 35.15 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 177.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 155.26 44.04 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 120.969 -1.082 . . . . 0.0 109.888 -178.717 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -48.91 -25.05 8.04 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.209 1.273 . . . . 0.0 113.089 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mtp -90.89 -12.63 35.58 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.193 -0.942 . . . . 0.0 109.641 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.91 24.16 13.74 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -99.88 114.44 65.65 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.277 -1.131 . . . . 0.0 109.093 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -49.35 131.4 27.16 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 CA-C-N 120.125 1.08 . . . . 0.0 112.571 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.497 HG11 ' OD1' ' A' ' 9' ' ' ASN . 5.4 m -138.28 159.28 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.24 -0.913 . . . . 0.0 110.415 178.307 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.62 154.72 26.01 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 178.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -49.67 -35.94 23.27 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.12 -0.987 . . . . 0.0 110.287 -177.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -58.82 5.16 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.146 -0.971 . . . . 0.0 110.913 -179.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.8 m -55.09 -42.84 73.36 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.773 -1.204 . . . . 0.0 109.777 -179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.76 -44.27 91.74 Favored Glycine 0 C--N 1.29 -2.0 0 C-N-CA 118.991 -1.576 . . . . 0.0 109.852 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.2 mt -72.03 -53.26 13.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.203 -1.174 . . . . 0.0 110.579 -179.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.94 -46.62 88.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.991 -1.068 . . . . 0.0 109.629 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.623 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.0 t80 -60.02 -44.18 94.78 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 109.739 -178.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -60.05 -43.47 95.35 Favored 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.292 -1.505 . . . . 0.0 109.386 -179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -72.28 -41.74 66.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 111.928 -179.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' NE2' ' OP2' ' C' ' 122' ' ' ' DT' . 64.0 m-70 -113.6 -8.55 13.3 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.887 -1.133 . . . . 0.0 112.202 -176.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.623 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.4 pt20 38.53 50.3 1.53 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.563 -1.336 . . . . 0.0 112.847 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 m -142.51 150.41 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 177.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 31.4 p-10 -86.44 134.78 33.67 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.119 -0.988 . . . . 0.0 109.541 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HG3' HH11 ' A' ' 42' ' ' ARG . 11.5 mmm-85 -111.42 151.49 43.28 Favored Pre-proline 0 N--CA 1.506 2.353 0 O-C-N 121.254 -0.904 . . . . 0.0 108.93 179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 45' ' ' THR . 9.1 Cg_endo -60.7 153.61 60.92 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 121.67 1.58 . . . . 0.0 113.593 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.0 mp -61.65 7.06 0.05 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.523 -0.736 . . . . 0.0 110.107 179.5 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 43' ' ' PRO . 24.2 p -63.75 -12.29 33.8 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 120.94 -1.1 . . . . 0.0 108.793 179.847 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -96.68 -10.48 26.87 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.983 0.896 . . . . 0.0 108.594 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.53 129.11 36.7 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.506 0.67 . . . . 0.0 109.956 -178.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -123.72 137.96 54.61 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -43.5 -87.03 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.215 -0.928 . . . . 0.0 110.546 -178.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.6 -177.42 27.44 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.1 mt -92.78 146.21 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.332 -1.099 . . . . 0.0 110.161 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -81.31 148.28 29.48 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.02 166.91 22.91 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.696 -1.252 . . . . 0.0 109.815 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.55 ' HB2' HH11 ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.84 161.42 42.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.409 -0.807 . . . . 0.0 110.668 -178.524 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.68 139.94 52.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.818 . . . . 0.0 109.078 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.728 ' HE ' ' P ' ' C' ' 126' ' ' ' DC' . 5.4 mmt-85 -65.85 132.89 49.76 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.432 -0.793 . . . . 0.0 110.927 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -77.26 159.95 29.24 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 60' ' ' SER . 2.9 p -65.22 -2.72 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.211 -0.931 . . . . 0.0 110.04 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 t -51.94 -2.86 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.439 -0.788 . . . . 0.0 110.657 -178.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 58' ' ' VAL . 6.9 t -141.64 79.66 1.69 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.044 -1.035 . . . . 0.0 110.61 -179.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -153.63 159.38 42.08 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 178.483 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.35 71.27 0.34 Allowed Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.95 -44.42 94.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.026 -1.279 . . . . 0.0 109.341 179.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.95 -6.68 11.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.69 -0.631 . . . . 0.0 110.123 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.529 HH11 ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.64 140.01 51.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.202 -0.937 . . . . 0.0 109.577 -179.853 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 N--CA 1.498 1.968 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.197 179.911 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.672 0 O4'-C1'-N19 110.598 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.458 0 O4'-C1'-N19 110.999 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C1'-N19 110.737 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.494 4.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.522 ' P ' HH21 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.544 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.851 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.337 0 O4'-C1'-N19 110.277 3.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.61 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.447 2.072 1 O4'-C1'-N19 112.425 5.781 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.551 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.486 1 O4'-C1'-N19 111.247 4.309 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.97 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.455 2.66 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.528 3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.712 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.731 0 C4'-C3'-C2' 106.157 2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.564 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.86 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . 0.419 ' H72' " H2'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.691 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.4 0 O4'-C1'-N19 110.566 3.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.564 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.778 1 O4'-C1'-N19 111.482 4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.399 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.552 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.529 2.305 1 O4'-C1'-N19 112.02 5.275 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.552 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.928 5.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.542 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 O4'--C1' 1.442 1.691 1 O4'-C1'-N19 111.11 4.137 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.472 ' OP1' ' NH2' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.45 2.317 1 O4'-C1'-N19 111.473 4.592 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.514 ' C5 ' ' C4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.182 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.514 ' C4 ' ' C5 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.65 4.812 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.352 0 C3'-C2'-C1' 107.391 3.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.364 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.501 3.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.459 0 O4'-C1'-N19 110.77 3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.278 1 O4'-C1'-N19 111.759 4.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.931 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.4 tptp . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.522 HH21 ' P ' ' B' ' 105' ' ' ' DC' . 13.8 mmt180 -90.92 -27.54 18.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.376 -0.827 . . . . 0.0 109.69 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.27 120.06 5.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.365 -0.834 . . . . 0.0 110.884 -179.278 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.64 -10.03 60.63 Favored Glycine 0 N--CA 1.495 2.597 0 C-N-CA 120.327 -0.939 . . . . 0.0 110.991 178.409 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -69.74 111.83 5.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.724 -1.456 . . . . 0.0 110.078 -179.082 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.88 140.48 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 177.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLN . 50.3 t -59.94 118.14 5.89 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.554 -1.341 . . . . 0.0 109.545 -179.455 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m -59.93 -39.97 87.32 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.618 -0.676 . . . . 0.0 109.699 179.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.523 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.6 m-20 -75.2 -38.59 60.7 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.937 -1.102 . . . . 0.0 111.495 -178.336 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.634 ' CB ' HH11 ' A' ' 47' ' ' ARG . 9.6 p -131.74 17.63 4.73 Favored 'General case' 0 N--CA 1.511 2.622 0 CA-C-N 120.266 1.394 . . . . 0.0 113.133 -178.513 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' O ' ' NE2' ' A' ' 11' ' ' GLN . 40.8 tp60 54.47 -4.01 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 120.522 -1.361 . . . . 0.0 113.381 176.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 10' ' ' CYS . 12.6 t -57.0 140.02 50.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 119.428 -2.045 . . . . 0.0 108.561 179.654 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.1 p -104.03 -9.23 18.97 Favored 'General case' 0 N--CA 1.512 2.67 0 O-C-N 121.091 -1.006 . . . . 0.0 108.439 179.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.0 p -102.99 122.61 44.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 p -146.52 148.93 32.7 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.228 -0.92 . . . . 0.0 109.412 -179.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.443 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 7.0 p -72.12 -40.42 68.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 178.185 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.851 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.6 tp -145.5 131.72 19.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 178.143 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -78.35 128.37 33.57 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.025 -1.047 . . . . 0.0 108.955 179.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' NH1' HD22 ' A' ' 29' ' ' ASN . 3.6 mmt-85 -112.46 -179.53 3.69 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.578 0.704 . . . . 0.0 109.272 179.292 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -130.54 140.53 50.48 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.35 159.97 38.07 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -53.96 -20.27 17.72 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.368 1.379 . . . . 0.0 112.618 -179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -8.95 51.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.052 -1.03 . . . . 0.0 109.923 -179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 27.23 19.22 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -102.04 118.46 59.18 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.67 -0.9 . . . . 0.0 109.93 -179.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -51.81 132.64 42.62 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 CA-C-N 119.967 1.024 . . . . 0.0 111.886 179.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG11 ' ND2' ' A' ' 9' ' ' ASN . 2.6 m -139.58 159.95 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 121.339 -0.85 . . . . 0.0 110.813 179.453 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 p -82.62 153.27 25.52 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.513 HD22 ' NH1' ' A' ' 19' ' ' ARG . 27.2 t-20 -47.6 -37.68 12.99 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.086 -1.009 . . . . 0.0 112.378 -176.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.19 -50.18 61.9 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.493 -1.379 . . . . 0.0 111.489 -178.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' HD22 ' A' ' 9' ' ' ASN . 55.1 m -58.84 -42.83 90.21 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 120.572 -1.33 . . . . 0.0 111.179 -178.79 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.39 -46.97 91.28 Favored Glycine 0 C--N 1.29 -1.992 0 C-N-CA 119.055 -1.545 . . . . 0.0 110.363 -177.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.8 mt -69.13 -51.96 33.08 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.341 -1.093 . . . . 0.0 110.238 -179.355 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -60.02 -44.49 94.58 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.713 -1.242 . . . . 0.0 109.568 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.67 ' O ' ' N ' ' A' ' 39' ' ' GLN . 26.1 t80 -64.1 -47.72 78.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.257 -0.902 . . . . 0.0 109.731 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -60.06 -40.83 90.81 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.118 -1.614 . . . . 0.0 110.638 -179.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.14 -40.0 75.04 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.731 -1.231 . . . . 0.0 111.419 -179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.542 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 84.1 m-70 -116.51 -4.61 11.74 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.977 -1.077 . . . . 0.0 112.01 -178.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.67 ' N ' ' O ' ' A' ' 35' ' ' TYR . 60.1 tt0 39.74 51.19 2.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.595 -1.315 . . . . 0.0 111.666 178.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -147.83 154.58 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -86.06 138.8 31.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 109.29 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' NH1' ' SD ' ' A' ' 46' ' ' MET . 11.8 ptt180 -119.0 150.1 48.06 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 121.142 -0.974 . . . . 0.0 109.551 -179.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -56.7 148.24 66.42 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 120.917 1.078 . . . . 0.0 112.719 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 46' ' ' MET . 9.5 mp -69.93 -19.81 63.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.529 -0.732 . . . . 0.0 110.969 -179.248 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LEU . 81.4 p -44.15 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.366 -0.834 . . . . 0.0 110.136 -178.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.541 ' N ' ' O ' ' A' ' 44' ' ' LEU . 25.3 ttt -80.27 -39.16 29.42 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.993 -1.067 . . . . 0.0 110.937 -179.178 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.634 HH11 ' CB ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -76.24 164.46 26.04 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.331 -0.856 . . . . 0.0 110.28 -179.157 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -134.16 159.5 40.68 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -42.05 -83.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.278 -0.889 . . . . 0.0 110.993 -178.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.67 -173.99 11.77 Favored Glycine 0 N--CA 1.497 2.744 0 O-C-N 120.92 -1.113 . . . . 0.0 110.672 -178.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mt -86.3 138.44 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.299 -1.118 . . . . 0.0 109.321 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -77.44 149.26 35.1 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 t -141.32 156.74 45.82 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.74 -1.225 . . . . 0.0 110.837 -179.019 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -141.04 165.71 26.8 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.36 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -60.02 136.0 57.88 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -61.76 129.98 43.58 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 110.444 -178.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -60.93 -179.83 0.15 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.386 -0.821 . . . . 0.0 110.019 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.3 m -54.66 158.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.417 -0.802 . . . . 0.0 109.327 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.6 p -84.6 100.59 11.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.946 -1.096 . . . . 0.0 109.175 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 m -157.15 148.02 21.59 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.354 -0.841 . . . . 0.0 109.805 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -157.39 -58.64 0.08 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.208 -0.932 . . . . 0.0 108.518 179.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.5 -164.67 28.36 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -134.8 145.67 48.59 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.335 -1.097 . . . . 0.0 109.108 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -61.34 139.97 58.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.15 -0.969 . . . . 0.0 109.967 -179.178 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -148.17 150.23 33.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.511 -0.743 . . . . 0.0 109.469 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.064 -0.97 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 1 O4'-C1'-N19 111.16 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.753 3.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.151 4.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 0 C4'-C3'-C2' 106.212 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.858 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.933 3.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.656 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.446 1.975 1 O4'-C1'-N19 112.048 5.311 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.521 " H2'" ' H72' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.131 4.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.521 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.081 4.101 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.445 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.748 3.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.414 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.449 2.247 1 O4'-C1'-N19 112.268 5.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.431 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.861 0 C3'-C2'-C1' 107.187 3.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.565 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.733 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 111.397 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . 0.416 ' O2 ' ' H2 ' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.411 0 O4'-C1'-N19 110.893 3.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.871 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.495 0 O4'-C1'-N19 110.426 3.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.565 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.862 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.403 ' N3 ' ' C6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.204 4.254 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.44 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.576 4.72 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.44 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.636 4.795 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.441 ' P ' ' NE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.265 1 O4'-C1'-N19 111.477 4.597 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.334 1 O4'-C1'-N19 111.896 5.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.501 ' C2 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.946 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.501 ' N3 ' ' C2 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.562 1 O4'-C1'-N19 111.629 4.786 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.814 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 1 O4'-C1'-N19 111.556 4.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.506 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 O4'-C1'-N19 110.718 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.846 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -96.84 -3.06 42.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.518 -0.739 . . . . 0.0 109.539 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.43 114.72 11.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.458 -0.776 . . . . 0.0 110.417 -179.153 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.58 -12.44 34.14 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.7 m -70.04 113.93 7.71 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.813 -1.404 . . . . 0.0 110.166 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.65 141.53 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.204 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.5 t -58.38 117.78 4.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.556 -1.34 . . . . 0.0 109.849 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -60.0 -38.49 82.79 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.679 -0.638 . . . . 0.0 109.847 179.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' ND2' HG11 ' A' ' 27' ' ' VAL . 97.6 m-20 -80.22 -37.94 32.06 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.965 -1.085 . . . . 0.0 112.058 -177.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.1 p -129.05 16.36 6.21 Favored 'General case' 0 N--CA 1.514 2.754 0 CA-C-N 120.638 1.563 . . . . 0.0 113.008 -178.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 59.04 -4.16 0.08 Allowed 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 175.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -58.8 150.96 22.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 119.21 -2.181 . . . . 0.0 109.062 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.9 p -130.12 18.79 5.46 Favored 'General case' 0 N--CA 1.508 2.426 0 O-C-N 120.988 -1.07 . . . . 0.0 108.52 178.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 6.2 p -123.86 48.9 1.81 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' HG23 ' A' ' 15' ' ' THR . 3.2 p -78.28 153.04 32.16 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.195 -0.941 . . . . 0.0 111.353 -176.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.3 p -77.41 -39.81 45.76 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 177.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.858 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 6.7 tp -142.16 132.56 25.09 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 178.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CZ3' HG21 ' A' ' 15' ' ' THR . 71.4 m95 -80.44 128.34 33.47 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.142 -179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' NH1' HD22 ' A' ' 29' ' ' ASN . 4.3 mmt-85 -116.95 130.95 57.03 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.706 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 20' ' ' ARG . 4.8 mmt-85 -83.48 146.18 28.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.382 -1.449 . . . . 0.0 107.121 178.403 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.02 159.89 36.84 Favored Pre-proline 0 N--CA 1.504 2.256 0 O-C-N 120.829 -1.17 . . . . 0.0 109.907 -179.428 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.53 -23.86 8.32 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.341 1.361 . . . . 0.0 112.82 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.5 mtt -91.07 -9.16 46.76 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.127 -0.983 . . . . 0.0 109.849 -179.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.27 24.84 25.58 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -179.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.77 117.24 62.08 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.41 -1.053 . . . . 0.0 109.46 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -50.13 126.25 16.77 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 CA-C-N 120.261 1.129 . . . . 0.0 113.055 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.7 m -131.07 159.34 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.606 0 O-C-N 121.445 -0.784 . . . . 0.0 109.734 178.389 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -82.37 153.45 25.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.946 . . . . 0.0 109.527 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.539 HD22 ' NH1' ' A' ' 19' ' ' ARG . 27.7 t-20 -49.98 -29.98 9.6 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -0.871 . . . . 0.0 111.293 -177.191 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -53.41 12.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.701 -1.249 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.43 -42.57 87.55 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.89 -1.131 . . . . 0.0 109.644 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -54.86 -48.61 65.8 Favored Glycine 0 C--N 1.292 -1.902 0 C-N-CA 118.837 -1.649 . . . . 0.0 109.734 -178.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.01 -52.44 24.18 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.212 -1.169 . . . . 0.0 110.918 -179.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 32.3 t80 -60.01 -44.04 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.774 -1.204 . . . . 0.0 109.671 -179.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.4 t80 -61.87 -46.35 89.79 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.272 -0.892 . . . . 0.0 109.975 -179.038 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.94 -42.1 93.28 Favored 'General case' 0 C--N 1.29 -1.991 0 O-C-N 119.988 -1.695 . . . . 0.0 110.307 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.29 -43.35 67.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.926 -1.108 . . . . 0.0 111.516 -179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' NE2' ' P ' ' C' ' 122' ' ' ' DT' . 78.8 m-70 -111.77 -3.22 15.03 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.05 -1.031 . . . . 0.0 112.165 -177.785 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.8 pt20 37.78 44.88 0.61 Allowed 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.427 -1.421 . . . . 0.0 112.998 179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.76 157.15 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 14.5 p-10 -84.21 127.3 33.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.984 -1.073 . . . . 0.0 109.478 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -100.71 133.33 21.26 Favored Pre-proline 0 N--CA 1.498 1.968 0 O-C-N 121.182 -0.949 . . . . 0.0 110.275 -178.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 45' ' ' THR . 11.2 Cg_exo -51.02 152.11 10.79 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 119.923 1.008 . . . . 0.0 112.667 179.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.91 15.64 0.15 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.424 -0.798 . . . . 0.0 110.05 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 43' ' ' PRO . 2.2 p -50.04 -26.13 4.06 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.98 -1.075 . . . . 0.0 110.465 -178.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.5 ptm -107.82 -2.9 19.52 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.033 -1.042 . . . . 0.0 110.923 -178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.28 148.06 28.57 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.27 172.3 15.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.909 . . . . 0.0 109.524 179.75 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -60.82 -76.32 0.05 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.167 -0.958 . . . . 0.0 111.572 -177.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.55 171.59 37.01 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 14' ' ' THR . 4.2 mt -92.57 146.33 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.52 -0.988 . . . . 0.0 109.627 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.14 147.05 30.24 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.8 159.46 41.28 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.104 -0.997 . . . . 0.0 109.093 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.5 163.7 37.79 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.586 -0.697 . . . . 0.0 109.836 -178.813 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.39 138.25 57.71 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.405 -0.809 . . . . 0.0 109.602 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.56 132.39 49.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.499 -0.75 . . . . 0.0 109.94 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -68.27 -172.41 0.32 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.302 -0.874 . . . . 0.0 110.386 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.24 144.73 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.505 -0.747 . . . . 0.0 109.976 -179.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 p -82.88 99.27 9.64 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -103.36 120.56 41.03 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.472 -0.767 . . . . 0.0 109.754 -178.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -127.86 -9.43 5.49 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.544 -0.723 . . . . 0.0 109.413 -179.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.03 149.57 39.58 Favored Glycine 0 N--CA 1.495 2.568 0 O-C-N 120.738 -1.226 . . . . 0.0 110.163 -179.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.06 -50.23 74.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.283 -1.128 . . . . 0.0 109.132 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -151.69 -91.17 0.06 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.189 -0.944 . . . . 0.0 108.864 179.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -146.6 150.63 35.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.211 -0.93 . . . . 0.0 109.515 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.132 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.523 ' H8 ' HO5' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.405 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.093 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.405 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.374 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.557 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.402 0 C3'-C2'-C1' 107.105 3.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.612 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.402 1 O4'-C1'-N19 112.319 5.648 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.544 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.078 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.484 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.307 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.453 2.552 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 1 O4'-C1'-N19 111.199 4.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.489 " O4'" ' NH2' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 112.026 5.282 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.723 0 C3'-C2'-C1' 106.951 3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.255 1 O4'-C1'-N19 111.181 4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.839 5.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 111.208 4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.694 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.383 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.523 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 111.227 4.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.523 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.735 4.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.435 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.529 2.197 1 O4'-C1'-N19 111.233 4.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.516 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 O4'--C1' 1.452 2.496 1 O4'-C1'-N19 111.803 5.004 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.453 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.53 1 O4'-C1'-N19 111.26 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.474 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.873 3.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.299 4.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.48 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.251 0 O4'-C1'-N19 110.814 3.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.188 2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.044 4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.905 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 5' ' ' THR . 5.5 tmm_? -63.58 -40.47 97.04 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.18 122.68 5.46 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.554 -0.716 . . . . 0.0 111.383 -179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 -10.39 64.67 Favored Glycine 0 N--CA 1.496 2.669 0 O-C-N 121.203 -0.936 . . . . 0.0 110.976 178.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 2' ' ' ARG . 4.0 m -67.54 117.61 9.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.971 -1.311 . . . . 0.0 110.199 -179.084 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 m -121.49 140.93 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 177.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.7 t -62.75 118.57 7.88 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.563 -1.335 . . . . 0.0 109.879 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 m -61.66 -40.01 93.42 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.465 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.46 -39.57 58.57 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 118.993 -1.083 . . . . 0.0 112.134 -178.116 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -128.66 8.13 5.8 Favored 'General case' 0 N--CA 1.512 2.659 0 CA-C-N 120.32 1.418 . . . . 0.0 112.762 -178.063 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' CYS . 41.6 tt0 63.63 -1.28 0.62 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.561 -1.337 . . . . 0.0 113.544 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -61.48 143.99 54.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 119.549 -1.969 . . . . 0.0 108.651 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.7 p -108.42 -5.84 16.47 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -101.85 119.54 38.96 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.445 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.2 p -146.44 150.61 35.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.056 -1.028 . . . . 0.0 110.235 -179.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -78.66 -38.98 38.16 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.612 ' CD2' ' N7 ' ' B' ' 107' ' ' ' DG' . 7.4 tp -143.75 131.41 21.26 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ3' HG21 ' A' ' 15' ' ' THR . 60.1 m95 -81.75 128.85 34.42 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.889 -1.132 . . . . 0.0 109.014 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.779 HH21 ' ND2' ' A' ' 29' ' ' ASN . 25.4 mmt180 -111.62 178.33 4.36 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.266 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -130.83 140.11 50.22 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 177.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.33 159.4 39.33 Favored Pre-proline 0 N--CA 1.502 2.146 0 O-C-N 120.753 -1.217 . . . . 0.0 109.449 -179.4 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -51.0 -20.29 6.96 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.654 1.569 . . . . 0.0 113.633 -179.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -96.48 -5.92 38.41 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.839 -1.163 . . . . 0.0 109.885 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.78 26.44 17.04 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.32 114.92 65.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.22 -1.165 . . . . 0.0 109.911 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -49.88 134.84 35.63 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 CA-C-N 120.036 1.049 . . . . 0.0 112.113 179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.597 HG23 ' HB2' ' A' ' 19' ' ' ARG . 3.5 m -140.07 158.01 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.308 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.3 p -83.16 160.09 21.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.919 -1.113 . . . . 0.0 110.675 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.779 ' ND2' HH21 ' A' ' 19' ' ' ARG . 48.2 t-20 -44.48 -49.99 9.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.858 -0.526 . . . . 0.0 111.829 -178.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.5 -50.75 70.14 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.983 -1.073 . . . . 0.0 111.265 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -59.97 -41.18 91.39 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.6 -1.313 . . . . 0.0 110.136 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.82 -50.17 65.59 Favored Glycine 0 N--CA 1.487 2.054 0 C-N-CA 118.944 -1.598 . . . . 0.0 109.888 -178.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.41 -48.94 68.44 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 109.859 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -60.06 -43.0 95.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.153 -0.967 . . . . 0.0 109.338 -179.649 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.642 ' O ' ' N ' ' A' ' 39' ' ' GLN . 17.5 t80 -67.26 -49.1 65.69 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.532 -0.73 . . . . 0.0 109.797 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.98 -40.41 89.01 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.21 -1.556 . . . . 0.0 109.982 -179.525 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.11 -40.38 71.52 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.178 -0.951 . . . . 0.0 111.483 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 89.4 m-70 -118.59 3.84 11.72 Favored 'General case' 0 N--CA 1.512 2.632 0 O-C-N 120.868 -1.145 . . . . 0.0 112.049 -178.121 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 35' ' ' TYR . 15.9 pt20 35.05 40.12 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 O-C-N 120.724 -1.235 . . . . 0.0 113.552 179.314 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.12 155.09 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 28.8 p-10 -81.95 128.07 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.101 -1.0 . . . . 0.0 110.468 -178.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' NH1' ' OP1' ' C' ' 123' ' ' ' DT' . 16.3 ptt180 -89.48 150.99 45.54 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.347 -0.846 . . . . 0.0 109.771 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 45' ' ' THR . 18.8 Cg_endo -68.25 149.9 76.19 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 120.677 0.918 . . . . 0.0 111.024 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.65 5.78 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.861 -1.149 . . . . 0.0 110.611 -179.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.499 ' H ' ' C ' ' A' ' 43' ' ' PRO . 5.0 t -60.83 -14.93 24.94 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.678 -1.264 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 71.5 mmm -99.83 -5.79 27.93 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.277 -0.89 . . . . 0.0 109.666 179.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 47' ' ' ARG . 40.5 ttt-85 -80.25 127.21 32.08 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 110.262 -178.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' ASP . 43.6 mmtm -122.38 140.34 52.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 179.308 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' LYS . 26.2 t70 -41.21 -87.01 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.18 -0.95 . . . . 0.0 110.655 -179.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.97 -173.9 25.65 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.22 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.33 138.65 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 O-C-N 121.296 -1.12 . . . . 0.0 108.944 178.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -74.98 150.59 38.96 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.32 47.13 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.802 -1.186 . . . . 0.0 109.77 -179.474 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' NH2' " O4'" ' B' ' 112' ' ' ' DA' . 12.8 mtp180 -150.21 167.0 28.18 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -56.16 143.69 32.32 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.931 0.872 . . . . 0.0 109.998 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 56' ' ' ARG . 17.1 mmt-85 -62.41 125.61 24.51 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.464 0.649 . . . . 0.0 112.223 -177.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 29.6 ttpt -49.19 169.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 177.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 61.2 t -54.07 140.02 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.88 -1.137 . . . . 0.0 109.263 -179.419 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.3 p -79.18 57.05 2.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.019 -1.05 . . . . 0.0 109.088 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.0 m -66.43 135.39 54.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.417 -0.802 . . . . 0.0 109.987 -179.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HD3' ' H ' ' A' ' 62' ' ' GLY . 4.9 tmtt? -150.92 143.42 24.33 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.536 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' H ' ' HD3' ' A' ' 61' ' ' LYS . . . -72.96 -170.35 17.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.603 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -147.72 160.38 42.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.041 -1.27 . . . . 0.0 110.468 -179.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -124.91 145.23 49.93 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -69.94 141.34 53.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.096 -1.003 . . . . 0.0 108.786 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 120.679 -1.263 . . . . 0.0 109.239 179.585 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.124 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 1 O4'-C1'-N19 111.77 4.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 O4'-C1'-N19 111.849 5.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.869 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.231 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.555 ' O6 ' HD22 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.163 1 O4'-C1'-N19 112.77 6.213 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.544 ' C2 ' ' N2 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.051 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.427 ' O4 ' ' N1 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.792 1 O4'-C1'-N19 111.129 4.162 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.809 1 O4'-C1'-N19 111.911 5.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.429 ' N6 ' ' O6 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.542 3.921 1 O4'-C1'-N19 111.255 4.319 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.529 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.194 0 O4'-C4'-C3' 108.725 3.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.523 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.035 1 O4'-C1'-N19 111.444 4.555 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 030 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.565 1 O4'-C1'-N19 111.746 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.977 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.685 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 0 O4'-C1'-N19 110.522 3.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.523 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.58 3.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.981 1 O4'-C1'-N19 111.829 5.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.429 ' O6 ' ' N6 ' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.89 5.113 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.493 1 O4'-C1'-N19 111.396 4.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 1 O4'-C1'-N19 111.567 4.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.134 1 O4'-C1'-N19 111.212 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.427 ' N1 ' ' O4 ' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.643 0 O5'-C5'-C4' 114.529 3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.482 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.822 5.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.409 0 O4'-C1'-N19 110.957 3.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.299 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.564 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.739 3.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.002 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.743 1 O4'-C1'-N19 111.036 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 1 O4'-C1'-N19 111.253 4.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.3 pttt . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 121.758 0.789 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' NH1' ' CG ' ' A' ' 2' ' ' ARG . 5.1 mtt-85 -65.73 -40.15 91.87 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.093 -1.004 . . . . 0.0 108.932 178.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.94 118.56 2.67 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.867 -0.521 . . . . 0.0 111.424 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.92 -9.07 70.32 Favored Glycine 0 N--CA 1.506 3.338 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.23 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -63.16 120.47 11.55 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.753 -1.439 . . . . 0.0 110.077 -178.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.2 142.67 34.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' GLN . 52.6 t -68.34 117.87 10.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.827 -1.17 . . . . 0.0 110.276 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -59.99 -40.34 88.86 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.285 -0.884 . . . . 0.0 110.061 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.575 ' ND2' HG11 ' A' ' 27' ' ' VAL . 98.9 m-20 -75.79 -39.43 56.96 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.426 -1.421 . . . . 0.0 112.457 -178.239 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' HB3' HH12 ' A' ' 42' ' ' ARG . 13.7 p -128.47 12.36 6.43 Favored 'General case' 0 N--CA 1.515 2.791 0 CA-C-N 120.739 1.608 . . . . 0.0 112.546 -178.703 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 7' ' ' CYS . 93.9 mt-30 57.05 2.99 0.12 Allowed 'General case' 0 N--CA 1.506 2.335 0 O-C-N 120.512 -1.367 . . . . 0.0 114.225 176.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.529 ' CA ' ' HE ' ' A' ' 47' ' ' ARG . 11.9 t -64.65 147.29 53.27 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.346 -1.471 . . . . 0.0 107.823 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 95.5 p -107.68 -7.69 16.34 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.097 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 p -99.26 119.27 37.63 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.429 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 4.5 p -145.43 150.17 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.127 -0.983 . . . . 0.0 109.381 -179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.421 ' OG1' ' C7 ' ' C' ' 125' ' ' ' DT' . 19.3 p -78.31 -40.51 36.53 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.205 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.869 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 9.5 tp -144.69 128.45 17.27 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 178.308 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CZ3' HG21 ' A' ' 15' ' ' THR . 80.4 m95 -75.99 130.01 37.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.828 -1.17 . . . . 0.0 109.298 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' NH1' HD23 ' A' ' 17' ' ' LEU . 1.2 mmt-85 -117.88 127.17 53.61 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.905 -1.122 . . . . 0.0 110.652 -179.03 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' A' ' 20' ' ' ARG . 30.1 mmt-85 -77.82 142.46 38.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 119.778 -1.826 . . . . 0.0 106.948 178.236 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.91 156.23 44.56 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.154 -0.967 . . . . 0.0 108.46 179.844 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -51.0 -19.79 6.23 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 120.853 1.035 . . . . 0.0 113.005 179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.0 tpt -92.03 -17.91 24.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 109.795 -179.103 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.43 26.58 8.6 Favored Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -108.92 111.71 60.55 Favored Pre-proline 0 C--N 1.303 -1.449 0 O-C-N 121.51 -0.994 . . . . 0.0 108.689 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -48.75 129.18 20.12 Favored 'Trans proline' 0 N--CA 1.486 1.081 0 CA-C-N 119.867 0.988 . . . . 0.0 112.615 -179.174 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG11 ' ND2' ' A' ' 9' ' ' ASN . 3.3 m -130.5 158.74 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.093 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 p -81.56 155.55 25.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 46.5 t-20 -49.89 -35.73 24.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.142 -0.974 . . . . 0.0 111.439 -177.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.61 -55.4 13.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.852 -1.155 . . . . 0.0 111.094 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 57.4 m -55.42 -40.35 71.36 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.44 -1.412 . . . . 0.0 110.635 -179.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.32 -50.35 68.76 Favored Glycine 0 C--N 1.288 -2.111 0 C-N-CA 119.285 -1.436 . . . . 0.0 110.765 -177.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.96 -51.43 58.6 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.2 -1.176 . . . . 0.0 110.956 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 62.6 t80 -60.57 -43.53 97.22 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.583 -1.323 . . . . 0.0 109.641 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.641 ' O ' ' N ' ' A' ' 39' ' ' GLN . 24.2 t80 -61.61 -44.3 97.25 Favored 'General case' 0 C--O 1.2 -1.541 0 CA-C-O 121.552 0.691 . . . . 0.0 109.522 -178.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.539 ' HZ2' ' CD1' ' A' ' 37' ' ' LEU . 17.0 ttpp -60.1 -42.33 94.44 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.13 -1.607 . . . . 0.0 109.637 179.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.539 ' CD1' ' HZ2' ' A' ' 36' ' ' LYS . 8.2 mp -70.31 -45.59 65.96 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.026 -1.046 . . . . 0.0 111.512 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.499 ' CD2' ' CE1' ' A' ' 34' ' ' TYR . 77.5 m-70 -115.21 0.32 13.5 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 120.938 -1.102 . . . . 0.0 112.637 -177.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.7 pt20 35.63 49.23 0.51 Allowed 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.599 -1.313 . . . . 0.0 112.633 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -141.05 154.07 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.999 -1.063 . . . . 0.0 108.212 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -84.46 125.86 32.74 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.002 -1.061 . . . . 0.0 109.06 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' A' ' 42' ' ' ARG . 0.0 OUTLIER -90.42 150.32 42.6 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.472 -0.767 . . . . 0.0 110.354 -178.899 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -62.34 149.6 90.18 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.309 1.34 . . . . 0.0 112.858 179.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 46' ' ' MET . 15.1 mt -66.9 -8.36 28.64 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.326 -0.859 . . . . 0.0 109.809 -179.684 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -58.14 -9.96 1.69 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.742 -1.224 . . . . 0.0 108.086 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.411 ' N ' ' C ' ' A' ' 44' ' ' LEU . 16.4 ttt -101.26 -8.86 21.76 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.943 -1.098 . . . . 0.0 109.652 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HE ' ' CA ' ' A' ' 12' ' ' THR . 34.3 ttt-85 -83.14 139.62 33.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.086 -1.009 . . . . 0.0 110.74 -179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -134.28 159.55 40.63 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -66.57 -73.42 0.13 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.034 -1.041 . . . . 0.0 111.017 -178.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.28 172.29 41.67 Favored Glycine 0 N--CA 1.496 2.635 0 C-N-CA 119.688 -1.244 . . . . 0.0 111.228 -178.507 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.6 mt -91.96 140.8 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.564 -0.962 . . . . 0.0 109.164 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -80.26 152.13 29.24 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.358 -0.839 . . . . 0.0 109.281 178.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.5 159.77 41.03 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 122.296 1.046 . . . . 0.0 109.768 -179.568 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 3.4 mmp_? -141.01 172.94 11.98 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.764 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -62.06 136.51 57.98 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.022 -1.049 . . . . 0.0 108.241 179.263 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 56' ' ' ARG . 2.1 mmt-85 -59.76 128.08 35.15 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.882 0.848 . . . . 0.0 112.146 -177.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' CG ' ' N ' ' A' ' 58' ' ' VAL . 24.8 ttpt -48.18 163.59 0.06 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.043 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 3.9 m -51.53 129.44 10.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.613 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 t -82.58 111.97 19.05 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.051 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -108.44 111.17 22.93 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.88 0.848 . . . . 0.0 109.147 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 60.3 mttp -142.43 155.67 45.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.639 -0.663 . . . . 0.0 109.308 -179.345 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.41 60.16 0.44 Allowed Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' LYS . 68.7 mttm -53.59 -89.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.112 -1.228 . . . . 0.0 110.605 -178.723 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -132.43 156.61 46.39 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.726 -0.609 . . . . 0.0 109.753 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -62.25 148.29 45.3 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.123 -0.986 . . . . 0.0 108.95 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 66' ' ' ARG . 13.6 mmt-85 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.698 179.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.381 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.786 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C1'-N19 110.409 3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.541 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 O4'--C1' 1.45 2.332 1 O4'-C1'-N19 112.504 5.88 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.476 ' N6 ' ' N6 ' ' C' ' 124' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.448 2.149 1 O4'-C1'-N19 111.249 4.312 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.407 ' H72' " H2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.279 0 O4'-C1'-N19 110.965 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.497 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.346 4.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.413 H2'' " O5'" ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.565 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.49 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.531 1 O4'-C1'-N19 111.735 4.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.033 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.854 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.49 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.567 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.3 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.437 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.874 5.092 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.437 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.757 1 O4'-C1'-N19 111.811 5.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.619 ' P ' ' HE2' ' A' ' 38' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.663 0 O4'-C1'-N19 110.929 3.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.435 ' H72' " H2'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.452 2.43 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.476 ' N6 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.544 4.098 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 031 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.462 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 112.874 6.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.436 ' OP1' ' CZ ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.894 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.036 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.438 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 1 O4'-C1'-N19 111.737 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.224 4.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 1 O4'-C1'-N19 111.752 4.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -99.8 -1.43 37.64 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.418 -0.801 . . . . 0.0 109.219 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.87 116.64 16.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.027 -1.045 . . . . 0.0 111.179 -178.678 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 -11.26 48.31 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 178.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 111.71 8.66 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.032 -1.276 . . . . 0.0 111.24 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.32 140.15 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 120.0 9.27 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 120.637 -1.289 . . . . 0.0 110.054 -179.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 m -60.02 -40.06 88.03 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.591 -0.693 . . . . 0.0 110.123 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' H ' HG12 ' A' ' 27' ' ' VAL . 99.6 m-20 -77.66 -38.91 46.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.851 -1.156 . . . . 0.0 112.515 -178.058 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.456 ' SG ' HG22 ' A' ' 12' ' ' THR . 11.7 p -130.86 12.75 5.27 Favored 'General case' 0 N--CA 1.514 2.767 0 CA-C-N 120.528 1.513 . . . . 0.0 112.804 -178.045 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 58.81 0.03 0.14 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.827 -1.171 . . . . 0.0 113.924 176.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.456 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.3 t -60.49 144.31 51.56 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 119.742 -1.849 . . . . 0.0 108.325 179.314 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -106.64 -8.86 16.75 Favored 'General case' 0 N--CA 1.513 2.723 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -99.9 119.98 39.06 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.068 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.475 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 5.2 p -144.01 147.38 33.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.239 -0.913 . . . . 0.0 109.222 -179.387 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 p -77.01 -39.66 49.47 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 118.495 -1.282 . . . . 0.0 107.692 178.657 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.876 HD23 ' NH1' ' A' ' 19' ' ' ARG . 7.7 tp -141.53 130.36 23.0 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.132 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.475 ' CZ3' HG21 ' A' ' 15' ' ' THR . 54.2 m95 -79.8 130.29 35.2 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.669 -1.269 . . . . 0.0 109.574 -179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.876 ' NH1' HD23 ' A' ' 17' ' ' LEU . 23.7 mmt180 -112.86 177.5 4.61 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.735 . . . . 0.0 109.715 -179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -130.74 140.94 50.36 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 177.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 158.68 37.04 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.27 -0.894 . . . . 0.0 109.895 -179.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -53.52 -16.88 8.4 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.228 1.285 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 52.7 ttm -93.79 -15.06 25.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.245 -0.91 . . . . 0.0 109.556 -179.529 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.56 28.98 9.1 Favored Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -107.63 114.18 60.74 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.513 -0.992 . . . . 0.0 109.122 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -47.95 141.84 16.27 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 CA-C-N 120.08 1.064 . . . . 0.0 112.979 -179.768 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.3 m -144.1 159.28 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 121.24 -0.912 . . . . 0.0 109.975 179.185 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.3 p -83.57 157.38 22.34 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.14 -0.975 . . . . 0.0 110.557 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.69 ' ND2' HH21 ' A' ' 19' ' ' ARG . 41.0 t-20 -47.3 -35.29 7.73 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.57 -0.707 . . . . 0.0 112.522 -177.132 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.86 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.457 -1.402 . . . . 0.0 110.968 -179.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 34.2 m -59.16 -43.67 92.11 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.572 -1.33 . . . . 0.0 110.072 -179.288 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.89 -50.62 65.66 Favored Glycine 0 C--N 1.291 -1.933 0 C-N-CA 118.929 -1.605 . . . . 0.0 109.872 -178.363 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 mt -65.68 -50.05 66.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.137 -1.213 . . . . 0.0 109.977 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 38.9 t80 -60.02 -46.36 89.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.664 -1.272 . . . . 0.0 110.117 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.628 ' O ' ' N ' ' A' ' 39' ' ' GLN . 20.6 t80 -64.51 -45.65 86.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.386 -0.821 . . . . 0.0 110.742 -178.438 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.15 -40.27 89.27 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.151 -1.593 . . . . 0.0 109.788 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mp -72.93 -39.49 66.21 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.235 -0.915 . . . . 0.0 111.72 -179.308 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.619 ' HE2' ' P ' ' C' ' 122' ' ' ' DT' . 80.8 m-70 -118.97 -1.08 11.04 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.916 -1.115 . . . . 0.0 112.338 -177.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.628 ' N ' ' O ' ' A' ' 35' ' ' TYR . 19.5 pt20 34.66 46.71 0.2 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.865 -1.147 . . . . 0.0 113.699 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -140.01 151.85 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -81.13 117.74 21.95 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.267 -0.896 . . . . 0.0 109.142 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 42' ' ' ARG . 2.7 ttt-85 -93.06 135.22 26.08 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.488 -0.758 . . . . 0.0 109.488 -179.311 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -43.73 151.51 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 120.846 1.031 . . . . 0.0 113.091 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 44' ' ' LEU . 6.7 mp -67.79 -16.06 63.93 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.489 -0.757 . . . . 0.0 110.718 -178.665 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.0 p -50.62 -10.04 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.237 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' LEU . 10.9 tpt -69.98 -40.03 75.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 31' ' ' CYS . 1.1 mpt_? -81.97 157.02 24.4 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.234 -0.916 . . . . 0.0 111.402 -178.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -112.59 -156.75 0.6 Allowed 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.079 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -92.51 2.64 56.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.88 -1.138 . . . . 0.0 109.926 179.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.33 -178.43 29.57 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 178.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mt -82.77 139.32 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.852 -1.381 . . . . 0.0 107.378 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -80.98 146.94 30.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.853 -1.154 . . . . 0.0 109.997 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.97 160.56 39.46 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.017 -1.052 . . . . 0.0 109.606 -179.55 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.604 HH11 ' CG ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -150.51 161.8 41.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.272 0.558 . . . . 0.0 109.54 -179.385 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -53.62 136.46 38.92 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.232 -0.917 . . . . 0.0 108.591 179.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CZ ' ' OP1' ' C' ' 126' ' ' ' DC' . 90.4 mtt180 -69.78 139.73 53.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.544 -0.722 . . . . 0.0 110.672 -178.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -63.68 -169.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.852 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.4 t -61.22 130.09 24.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 -179.407 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.6 p -70.0 149.73 47.4 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.131 -1.028 . . . . 0.0 108.356 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 t -147.97 132.89 18.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 109.279 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -151.59 -33.24 0.15 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.254 -0.904 . . . . 0.0 110.17 -179.698 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.18 53.62 0.18 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -59.97 -39.97 87.5 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.406 -1.055 . . . . 0.0 109.203 179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -78.85 129.39 34.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.023 -1.048 . . . . 0.0 108.802 179.363 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 65' ' ' ARG . 46.2 mtt-85 -106.19 130.84 53.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.502 -0.749 . . . . 0.0 109.256 179.71 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.099 -1.001 . . . . 0.0 109.126 179.581 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.518 1 O4'-C1'-N19 111.312 4.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 0 O4'-C1'-N19 110.733 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . 0.431 " H3'" HH12 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.833 3.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.559 ' P ' HH11 ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.694 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.861 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.538 3.37 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.5 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.528 2.164 1 O4'-C1'-N19 112.51 5.887 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.421 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.328 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.407 ' O2 ' ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.497 1 O4'-C1'-N19 111.212 4.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.889 0 O4'-C1'-N19 110.821 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.388 1 O4'-C1'-N19 112.62 6.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.534 ' OP1' ' NH1' ' A' ' 54' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.399 0 C3'-C2'-C1' 107.116 3.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.952 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.953 3.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.755 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.378 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.559 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 1 O4'-C1'-N19 111.467 4.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.419 ' C8 ' ' H71' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 113.276 6.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.419 ' H71' ' C8 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 112.557 5.947 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.616 1 O4'-C1'-N19 111.405 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.975 3.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 1 O4'-C1'-N19 111.502 4.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.421 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.438 1 O4'-C1'-N19 111.939 5.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.503 ' OP1' ' NE ' ' A' ' 56' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.375 0 C3'-C2'-C1' 107.211 3.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 111.532 4.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.473 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.88 3.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 0 O4'-C1'-N19 110.549 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.432 4.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.515 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.408 4.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 5' ' ' THR . 92.6 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.559 HH11 ' P ' ' B' ' 105' ' ' ' DC' . 0.1 OUTLIER -90.79 -3.23 57.57 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.68 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.25 112.6 12.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 109.896 -179.515 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -9.98 70.05 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 7.2 m -70.46 118.9 13.85 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.887 -1.361 . . . . 0.0 110.539 -178.761 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG21 ' NE2' ' A' ' 11' ' ' GLN . 32.5 m -120.62 142.96 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' CYS . 10.8 t -78.95 126.97 31.39 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.575 -1.328 . . . . 0.0 109.533 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -61.07 -39.99 91.96 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -177.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -78.52 -38.97 39.35 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.061 -1.649 . . . . 0.0 109.086 -179.17 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.826 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.3 p -131.47 88.08 2.54 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.784 1.278 . . . . 0.0 108.393 179.056 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' NE2' HG21 ' A' ' 6' ' ' VAL . 37.9 tp60 -37.1 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.812 0 CA-C-N 113.486 -1.688 . . . . 0.0 114.503 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.826 ' N ' ' O ' ' A' ' 10' ' ' CYS . 8.8 t -73.66 174.33 8.5 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 119.959 -1.713 . . . . 0.0 109.524 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.9 p -129.32 6.24 5.3 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 177.391 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -115.66 124.79 51.79 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 178.448 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 p -148.96 151.09 33.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.211 -0.931 . . . . 0.0 109.639 -179.708 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -80.04 -39.29 30.16 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.402 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.861 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 7.0 tp -144.44 130.23 19.23 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -82.48 127.54 33.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.95 -1.094 . . . . 0.0 108.946 179.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.71 ' NH1' HD23 ' A' ' 17' ' ' LEU . 2.0 mmt-85 -114.0 119.54 37.55 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.39 -0.819 . . . . 0.0 110.847 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -71.43 141.44 50.28 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.52 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -90.75 154.49 45.73 Favored Pre-proline 0 N--CA 1.504 2.271 0 O-C-N 120.719 -1.238 . . . . 0.0 109.757 -179.179 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -47.98 -25.93 6.93 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.028 1.152 . . . . 0.0 112.422 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 67.2 mtt -90.26 -15.19 31.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.546 -0.721 . . . . 0.0 109.596 -179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.84 18.72 21.88 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -95.18 113.18 60.91 Favored Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.186 -1.185 . . . . 0.0 109.658 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -49.89 130.34 26.9 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 CA-C-N 120.013 1.04 . . . . 0.0 113.294 179.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 m -137.17 153.12 28.76 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 121.338 -0.851 . . . . 0.0 108.959 177.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 p -78.14 165.63 23.73 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 33' ' ' LEU . 48.1 t-20 -54.94 -41.63 71.29 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 111.38 -177.262 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.15 -59.7 4.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.746 -1.221 . . . . 0.0 111.118 -178.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.7 m -60.09 -39.97 87.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.576 -178.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.25 -50.03 64.62 Favored Glycine 0 N--CA 1.485 1.948 0 C-N-CA 119.164 -1.493 . . . . 0.0 109.748 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' OD1' ' A' ' 29' ' ' ASN . 74.2 mt -65.41 -51.41 60.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.276 -1.132 . . . . 0.0 110.717 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 22.6 t80 -60.29 -44.69 95.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.001 -1.062 . . . . 0.0 109.803 -179.54 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.622 ' O ' ' N ' ' A' ' 39' ' ' GLN . 21.3 t80 -60.05 -43.56 95.3 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.131 -0.98 . . . . 0.0 109.284 -179.041 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -60.11 -45.25 93.58 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.119 -1.613 . . . . 0.0 109.871 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mp -71.05 -42.46 69.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.105 -0.997 . . . . 0.0 111.781 -178.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -111.89 -9.91 14.02 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.995 -1.065 . . . . 0.0 112.185 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.622 ' N ' ' O ' ' A' ' 35' ' ' TYR . 11.6 pt20 39.57 47.79 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.536 -1.353 . . . . 0.0 113.296 179.43 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.02 151.54 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 176.212 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 38.1 p-10 -85.68 130.02 34.67 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.783 -1.198 . . . . 0.0 110.184 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.57 150.05 39.1 Favored Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 121.331 -0.855 . . . . 0.0 109.894 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 45' ' ' THR . 6.0 Cg_endo -60.4 152.95 63.69 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.304 1.336 . . . . 0.0 112.947 179.257 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 44' ' ' LEU . 7.4 mp -62.98 7.59 0.08 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.524 -0.735 . . . . 0.0 109.97 179.681 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.9 p -64.81 -12.84 52.45 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.128 -0.982 . . . . 0.0 109.262 179.774 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.1 mmm -97.59 -21.48 17.04 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.204 -0.935 . . . . 0.0 109.06 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.09 145.71 29.1 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -131.01 151.55 51.29 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.295 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -45.4 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.026 -1.046 . . . . 0.0 109.88 -179.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.78 -176.75 17.31 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mt -91.57 141.92 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.225 -1.162 . . . . 0.0 109.724 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -78.97 151.94 31.32 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.64 157.64 45.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.264 -0.897 . . . . 0.0 110.323 -179.125 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' NH1' ' OP1' ' B' ' 113' ' ' ' DC' . 2.1 mmt180 -145.42 171.19 14.98 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.225 179.458 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -60.06 136.07 57.91 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.503 ' NE ' ' OP1' ' C' ' 126' ' ' ' DC' . 39.7 ttm180 -60.01 129.03 39.75 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.535 -0.728 . . . . 0.0 110.264 -178.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' NZ ' ' O2 ' ' B' ' 109' ' ' ' DT' . 19.8 ttmt -44.99 161.92 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.57 -0.706 . . . . 0.0 109.112 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.7 m -51.31 140.04 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.979 -1.075 . . . . 0.0 109.595 -179.56 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.3 p -86.47 30.95 0.68 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 t -50.79 -32.49 20.1 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.852 -0.53 . . . . 0.0 110.219 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -66.06 -39.96 90.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.145 -0.972 . . . . 0.0 108.966 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.17 153.36 25.35 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -145.39 141.0 28.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -1.165 . . . . 0.0 108.866 179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -81.61 -104.69 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.194 -0.941 . . . . 0.0 108.961 179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' NH1' ' CG ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -151.39 126.49 9.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.934 -1.104 . . . . 0.0 109.597 -179.914 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.199 179.275 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.221 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 111.598 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.152 1 O4'-C1'-N19 111.798 4.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.537 ' P ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.364 0 O4'-C1'-N19 110.758 3.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.742 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.557 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.529 2.299 1 O4'-C1'-N19 111.859 5.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.557 ' N6 ' ' C6 ' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.205 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.428 ' H71' " C2'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.788 3.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.598 1 O4'-C1'-N19 111.541 4.676 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.346 1 O4'-C1'-N19 111.019 4.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 1 O4'-C1'-N19 111.888 5.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 C3'-C2'-C1' 106.586 2.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.524 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.321 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.355 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.396 1 O4'-C1'-N19 111.458 4.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.423 ' C8 ' " O5'" ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.1 0 O4'-C1'-N19 110.266 3.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.524 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.253 4.316 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 O4'-C1'-N19 110.864 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.421 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.865 1 O4'-C1'-N19 111.524 4.655 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.421 " O5'" H2'' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.733 1 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.017 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.042 1 O4'-C1'-N19 111.625 4.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . 0.415 ' C6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.379 1 O4'-C1'-N19 111.449 4.562 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.474 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.315 1 O4'-C1'-N19 111.943 5.179 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.111 0 C3'-C2'-C1' 107.223 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.357 1 O4'-C1'-N19 111.152 4.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.358 0 O4'-C1'-N19 110.663 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.648 3.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.854 1 O4'-C1'-N19 111.437 4.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' OG1' ' A' ' 5' ' ' THR . 50.9 mtpt . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.537 ' NH1' ' P ' ' B' ' 105' ' ' ' DC' . 0.0 OUTLIER -80.93 -12.84 59.33 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 109.206 179.362 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.17 110.68 4.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.273 -0.892 . . . . 0.0 110.612 -178.474 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.11 -6.45 83.5 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 178.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 1' ' ' LYS . 3.3 m -68.27 112.37 5.13 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.982 -1.304 . . . . 0.0 110.8 -178.543 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.09 140.92 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 176.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 11' ' ' GLN . 48.9 t -60.77 118.04 6.14 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 120.886 -1.134 . . . . 0.0 110.05 -178.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -60.04 -40.0 87.85 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.115 -179.329 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.575 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 5.1 m120 -75.57 -39.53 58.02 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 118.771 -1.171 . . . . 0.0 112.363 -178.627 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.466 ' SG ' HG22 ' A' ' 12' ' ' THR . 8.8 p -127.95 11.69 6.62 Favored 'General case' 0 N--CA 1.516 2.842 0 CA-C-N 120.441 1.473 . . . . 0.0 113.003 -178.537 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 97.1 mt-30 56.79 -0.61 0.06 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.37 -1.456 . . . . 0.0 113.734 176.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 ' SG ' ' A' ' 10' ' ' CYS . 11.7 t -63.65 157.16 24.73 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 119.821 -1.799 . . . . 0.0 108.494 179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -128.83 6.65 5.56 Favored 'General case' 0 N--CA 1.512 2.64 0 O-C-N 121.039 -1.038 . . . . 0.0 110.572 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 7.9 p -107.8 48.97 0.82 Allowed 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.948 -1.095 . . . . 0.0 109.165 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.512 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 3.2 p -74.35 146.31 43.16 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 121.21 -0.931 . . . . 0.0 111.857 -176.922 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -72.93 -41.87 64.08 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.487 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.964 HD23 ' NH1' ' A' ' 19' ' ' ARG . 9.8 tp -142.67 131.52 22.86 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.512 ' CZ3' HG21 ' A' ' 15' ' ' THR . 61.5 m95 -79.63 126.98 31.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.074 -1.016 . . . . 0.0 109.9 -179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.964 ' NH1' HD23 ' A' ' 17' ' ' LEU . 20.7 mmt180 -108.33 177.22 4.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.302 -0.874 . . . . 0.0 108.921 179.388 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -131.1 139.64 49.89 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.694 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -92.74 156.23 41.09 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 120.909 -1.119 . . . . 0.0 109.448 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.08 -14.62 1.51 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.25 1.3 . . . . 0.0 112.597 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.8 OUTLIER -94.92 -11.59 28.37 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 109.948 -179.658 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.38 31.1 9.9 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 6.2 m-20 -108.52 114.45 59.02 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.513 -0.993 . . . . 0.0 109.293 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -50.57 140.6 35.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 CA-C-N 120.192 1.104 . . . . 0.0 112.944 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 19' ' ' ARG . 2.0 m -143.54 159.44 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.48 -0.762 . . . . 0.0 109.96 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.6 p -84.14 156.78 21.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.074 -1.016 . . . . 0.0 109.575 179.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.659 ' ND2' HH21 ' A' ' 19' ' ' ARG . 47.6 t-20 -45.25 -40.44 7.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.585 -0.697 . . . . 0.0 111.812 -178.399 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.2 39.21 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 120.855 -1.153 . . . . 0.0 111.475 -178.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.9 m -56.71 -39.06 73.2 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.716 -1.24 . . . . 0.0 110.57 -178.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.85 -49.23 80.1 Favored Glycine 0 N--CA 1.487 2.092 0 C-N-CA 119.43 -1.367 . . . . 0.0 110.035 -178.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 mt -69.5 -47.47 63.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.199 -1.177 . . . . 0.0 110.296 -179.314 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CE1' ' CG ' ' A' ' 38' ' ' HIS . 29.7 t80 -60.04 -40.04 87.99 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.769 -1.207 . . . . 0.0 109.132 -179.659 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.609 ' O ' ' N ' ' A' ' 39' ' ' GLN . 57.3 t80 -59.95 -44.68 94.26 Favored 'General case' 0 C--O 1.199 -1.593 0 O-C-N 121.531 -0.731 . . . . 0.0 110.02 -178.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -56.27 -47.12 79.21 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 120.139 -1.601 . . . . 0.0 110.159 -179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 37' ' ' LEU . 7.8 mp -71.95 -35.89 69.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.4 -1.437 . . . . 0.0 109.618 178.735 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.972 ' O ' ' N ' ' A' ' 40' ' ' VAL . 62.2 m-70 -112.24 42.79 1.72 Allowed 'General case' 0 C--O 1.192 -1.967 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.609 ' N ' ' O ' ' A' ' 35' ' ' TYR . 50.5 tt0 -31.3 59.28 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.914 0 CA-C-O 122.156 0.979 . . . . 0.0 110.66 -179.216 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.972 ' N ' ' O ' ' A' ' 38' ' ' HIS . 22.8 m -160.45 174.11 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.688 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.407 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 30.2 p-10 -80.23 128.63 33.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.093 . . . . 0.0 108.338 178.665 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.903 ' H ' ' HE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -97.81 154.65 37.76 Favored Pre-proline 0 N--CA 1.503 2.176 0 O-C-N 121.167 -0.958 . . . . 0.0 112.006 -177.495 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 45' ' ' THR . 29.0 Cg_endo -70.42 150.6 64.46 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.355 1.37 . . . . 0.0 111.551 178.577 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.36 15.55 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.356 -0.84 . . . . 0.0 110.881 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 43' ' ' PRO . 25.0 p -66.35 -18.63 65.47 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.813 -1.179 . . . . 0.0 109.551 179.548 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -99.07 -2.51 36.92 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.149 -0.97 . . . . 0.0 110.675 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 47' ' ' ARG . 41.8 ttt-85 -83.17 129.96 35.06 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.194 -0.941 . . . . 0.0 111.281 -179.476 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -125.99 146.32 49.93 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.364 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -47.12 -86.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.807 -1.183 . . . . 0.0 110.51 -178.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.22 -173.41 29.18 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.771 -1.331 . . . . 0.0 109.771 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 14' ' ' THR . 1.9 mt -91.69 135.53 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.303 -1.116 . . . . 0.0 110.256 -179.689 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.26 152.74 43.0 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.27 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.67 158.18 43.92 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.74 -1.225 . . . . 0.0 111.397 -178.581 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.41 ' HG2' ' NH1' ' A' ' 54' ' ' ARG . 60.5 mtt-85 -150.93 170.01 20.37 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.949 179.473 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -54.8 135.62 47.39 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.07 130.27 46.18 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.371 -0.83 . . . . 0.0 111.398 -177.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 58' ' ' VAL . 33.0 ttpt -48.42 156.22 0.44 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.64 -0.663 . . . . 0.0 109.284 178.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 ' N ' ' A' ' 59' ' ' SER . 14.0 p -50.23 174.82 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.178 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.555 ' N ' HG22 ' A' ' 58' ' ' VAL . 13.4 p -54.66 151.45 8.15 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 119.848 -1.783 . . . . 0.0 108.017 -179.251 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.6 p -49.71 -52.64 29.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.779 -1.201 . . . . 0.0 108.927 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -135.25 148.14 49.48 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -165.01 170.49 40.07 Favored Glycine 0 N--CA 1.487 2.06 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.526 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -145.57 151.31 37.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -1.099 . . . . 0.0 109.704 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -126.68 -25.35 3.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.361 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -145.91 157.52 43.89 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.311 -0.868 . . . . 0.0 109.755 -179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.908 -1.044 . . . . 0.0 109.659 -179.66 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.579 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.429 " H2'" ' H72' ' B' ' 103' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.461 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 103' ' ' ' DT' . . . . . 0.429 ' H72' " H2'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.541 3.694 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 104' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.242 0 C3'-C2'-C1' 106.827 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.17 0 O4'-C1'-N19 110.809 3.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.761 ' N7 ' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.532 2.649 0 C3'-C2'-C1' 106.783 2.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.604 ' N7 ' ' CD2' ' A' ' 17' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 112.289 5.612 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.467 ' N6 ' ' O4 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.441 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.235 3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.591 1 O4'-C1'-N19 111.291 4.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.26 1 O4'-C1'-N19 111.339 4.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.711 0 O4'-C1'-N19 110.131 2.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 114' ' ' ' DA' . . . . . 0.451 ' N6 ' ' N6 ' ' C' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.82 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.306 1 O4'-C1'-N19 111.221 4.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . 0.837 ' H8 ' HO5' ' C' ' 117' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.36 3.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 118' ' ' ' DA' . . . . . 0.451 ' N6 ' ' N6 ' ' B' ' 114' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 2.375 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 120' ' ' ' DG' . . . . . 0.54 ' C5 ' ' C4 ' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.963 1 O4'-C1'-N19 112.15 5.437 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.54 ' C4 ' ' C5 ' ' C' ' 120' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.73 4.913 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.021 1 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 123' ' ' ' DT' . . . . . 0.472 ' OP1' ' NH1' ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.396 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 124' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.677 0 O4'-C1'-N19 110.757 3.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.467 ' O4 ' ' N6 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 112.684 6.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.005 0 C3'-C2'-C1' 107.509 3.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 127' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 128' ' ' ' DG' . . . . . 0.545 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.682 3.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 129' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 130' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.246 4.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 131' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.373 4.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 64.0 mttp . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 120.874 0.369 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.563 HH22 ' NH1' ' A' ' 20' ' ' ARG . 3.1 mmp_? -100.0 12.06 37.77 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.15 110.25 17.19 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.403 0.62 . . . . 0.0 110.186 -179.782 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.55 0.5 75.86 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.419 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' CZ3' ' A' ' 18' ' ' TRP . 10.2 m -66.79 119.49 11.92 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.709 -1.465 . . . . 0.0 110.896 -178.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.11 141.84 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.007 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 11' ' ' GLN . 44.0 t -62.58 115.36 4.2 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 120.528 -1.357 . . . . 0.0 110.729 -179.509 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -60.05 -40.03 88.0 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.61 -0.681 . . . . 0.0 109.489 179.443 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' ND2' HG11 ' A' ' 27' ' ' VAL . 99.7 m-20 -75.29 -39.52 59.56 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.871 -1.143 . . . . 0.0 112.581 -178.191 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 p -128.26 11.43 6.42 Favored 'General case' 0 N--CA 1.509 2.502 0 CA-C-N 120.392 1.451 . . . . 0.0 112.238 -178.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' CYS . 78.5 mt-30 61.42 2.59 0.67 Allowed 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.535 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -64.41 160.03 20.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 119.632 -1.918 . . . . 0.0 109.369 -179.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 t -133.6 11.49 4.07 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.103 -0.998 . . . . 0.0 108.99 178.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 19.5 p -114.39 48.22 1.14 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.492 HG21 ' CZ3' ' A' ' 18' ' ' TRP . 2.9 p -76.06 148.99 37.57 Favored 'General case' 0 C--N 1.286 -2.191 0 O-C-N 121.053 -1.029 . . . . 0.0 111.35 -176.608 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -79.55 -37.82 35.59 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 177.522 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.761 HD21 ' N7 ' ' B' ' 106' ' ' ' DA' . 6.6 tp -144.48 132.15 21.16 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.508 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CZ3' HG21 ' A' ' 15' ' ' THR . 84.5 m95 -84.49 127.59 34.11 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.717 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.754 HH21 ' ND2' ' A' ' 29' ' ' ASN . 19.4 mmt180 -114.18 119.04 35.73 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.465 -0.772 . . . . 0.0 109.755 -179.27 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.563 ' NH1' HH22 ' A' ' 2' ' ' ARG . 0.7 OUTLIER -70.39 143.2 51.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 119.843 -1.785 . . . . 0.0 107.432 177.561 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 156.25 40.85 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 120.934 -1.104 . . . . 0.0 110.097 -179.297 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -49.81 -23.38 8.46 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.591 1.528 . . . . 0.0 113.09 179.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.1 ttt -94.47 -15.33 24.31 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.067 -1.02 . . . . 0.0 109.869 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.84 22.69 9.9 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.406 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -100.31 114.07 65.6 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.881 -1.364 . . . . 0.0 109.76 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -52.59 130.94 38.87 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 CA-C-N 120.159 1.092 . . . . 0.0 112.324 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG11 ' ND2' ' A' ' 9' ' ' ASN . 6.4 m -134.76 160.87 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.445 -0.784 . . . . 0.0 109.67 178.34 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 p -82.74 160.29 22.36 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.205 -0.934 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.754 ' ND2' HH21 ' A' ' 19' ' ' ARG . 39.3 t-20 -47.42 -41.77 20.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.744 -0.598 . . . . 0.0 112.218 -177.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.47 -51.39 29.48 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.709 -1.244 . . . . 0.0 110.681 -178.177 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' NE ' ' A' ' 42' ' ' ARG . 55.9 m -56.03 -52.69 63.34 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.648 -1.283 . . . . 0.0 108.919 179.608 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -41.36 -59.92 2.5 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' O ' HD13 ' A' ' 37' ' ' LEU . 90.3 mt -60.76 -50.86 71.76 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.436 -1.038 . . . . 0.0 111.974 -178.718 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CE1' ' CD2' ' A' ' 38' ' ' HIS . 38.8 t80 -59.94 -37.1 78.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.786 -1.196 . . . . 0.0 109.698 -179.407 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' GLN . 30.8 t80 -59.49 -49.48 77.64 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 121.26 0.552 . . . . 0.0 110.335 -178.415 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.71 86.9 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.632 -1.293 . . . . 0.0 109.976 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 33' ' ' LEU . 8.4 mp -59.09 -45.97 89.48 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 108.623 -178.586 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 39' ' ' GLN . 46.5 m-70 -108.97 -72.46 0.72 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.183 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.576 ' CB ' ' O ' ' A' ' 38' ' ' HIS . 51.1 tt0 114.59 61.14 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.679 0 CA-C-O 122.115 0.96 . . . . 0.0 108.514 -179.106 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m -150.56 162.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 18.9 p30 -81.52 133.86 35.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.015 -1.053 . . . . 0.0 108.796 179.168 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.64 ' NE ' ' SG ' ' A' ' 31' ' ' CYS . 24.4 ptt180 -92.54 150.08 39.24 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 120.834 -1.166 . . . . 0.0 109.4 -179.12 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -66.95 151.16 82.62 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 120.639 0.892 . . . . 0.0 111.827 179.591 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.1 mp -68.04 0.37 3.65 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.318 -0.864 . . . . 0.0 110.483 -179.257 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 p -61.18 -16.55 45.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.642 -1.286 . . . . 0.0 108.466 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 ttt -97.89 -0.95 44.04 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.254 -0.904 . . . . 0.0 109.865 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -80.16 129.95 34.87 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.415 -0.803 . . . . 0.0 109.652 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' ASP . 53.9 tttm -123.38 138.36 54.62 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 2.1 p-10 -39.37 -90.86 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.51 -0.743 . . . . 0.0 110.95 -178.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -72.11 -174.08 21.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.328 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 14' ' ' THR . 3.4 mt -91.36 144.45 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 O-C-N 121.176 -1.19 . . . . 0.0 109.279 179.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -80.47 152.65 28.64 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.568 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.21 160.93 38.64 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.927 -1.108 . . . . 0.0 109.784 -179.506 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -151.28 175.51 12.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.832 -0.543 . . . . 0.0 109.949 -179.061 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.03 137.31 58.24 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -68.15 135.23 51.79 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.907 0.861 . . . . 0.0 111.752 -178.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -50.09 149.71 2.69 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.74 -0.6 . . . . 0.0 110.049 179.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -45.02 156.23 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.352 -0.843 . . . . 0.0 108.733 179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -89.44 151.87 21.78 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.767 -1.208 . . . . 0.0 109.767 -179.293 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 t -162.69 150.98 14.25 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.138 -0.976 . . . . 0.0 109.464 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -170.72 -50.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.827 -1.171 . . . . 0.0 110.94 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.38 88.15 1.01 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.87 -43.21 72.3 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.455 -1.027 . . . . 0.0 109.795 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -163.77 105.45 0.94 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.097 -1.002 . . . . 0.0 109.547 179.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -151.03 160.16 44.1 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.111 179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.521 -179.982 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_