data_2kix_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 2kix _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.0 t80 . . . . . 0 N--CA 1.502 2.126 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -52.87 -26.03 13.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.79 -1.194 . . . . 0.0 110.061 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.68 -19.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 O-C-N 121.615 -0.678 . . . . 0.0 109.502 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -83.41 -48.89 9.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -57.38 -51.46 69.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.0 109.752 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 86.2 mt -64.04 -55.83 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.71 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.2 m -42.95 -50.6 5.82 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 119.932 -1.73 . . . . 0.0 110.96 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -59.33 -41.23 88.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 0.0 109.601 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -55.37 -46.49 76.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.4 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -58.07 -40.75 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -68.93 -41.59 77.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.299 -0.876 . . . . 0.0 109.355 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 m -50.46 -52.5 37.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.066 -1.021 . . . . 0.0 109.913 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.89 79.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -54.18 38.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.174 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -65.12 -37.12 86.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.736 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.21 -50.66 61.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.193 -0.942 . . . . 0.0 109.64 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.98 -45.57 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.633 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -22.4 46.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -80.37 -47.08 14.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.0 109.35 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -62.26 -33.59 74.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.9 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.71 -60.7 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.939 -1.101 . . . . 0.0 109.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.98 -34.39 83.1 Favored Glycine 0 N--CA 1.502 3.085 0 C-N-CA 119.609 -1.281 . . . . 0.0 109.905 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -74.49 -52.25 12.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.575 -1.544 . . . . 0.0 109.395 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.265 -0.897 . . . . 0.0 109.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.297 -0.877 . . . . 0.0 109.446 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 N--CA 1.498 1.786 0 CA-C-O 121.432 0.513 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.484 ' O ' ' CD1' ' B' ' 5' ' ' PHE . 37.2 t80 -76.25 -15.31 60.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.479 -0.763 . . . . 0.0 109.786 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -69.81 0.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.077 0.941 . . . . 0.0 110.031 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.77 -22.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.14 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.847 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.07 -49.27 46.46 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.79 -1.194 . . . . 0.0 108.69 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' B' ' 12' ' ' SER . 6.4 p -60.15 -38.86 84.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 109.374 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 11' ' ' SER . 19.5 mm -60.52 -58.59 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.428 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.421 ' C ' ' O ' ' B' ' 10' ' ' ILE . 71.1 m -43.17 -48.03 6.35 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 119.976 -1.702 . . . . 0.0 110.997 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 9' ' ' SER . 66.8 p -57.68 -35.53 70.73 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.616 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . 0.42 ' O ' ' OG ' ' B' ' 16' ' ' SER . 67.4 t80 -61.87 -43.96 97.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.177 -0.952 . . . . 0.0 109.315 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -57.68 -46.84 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.342 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.89 -38.63 91.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 109.757 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 13' ' ' PHE . 57.0 p -52.63 -47.16 67.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.115 -0.991 . . . . 0.0 109.599 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.11 -38.02 44.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.142 -0.974 . . . . 0.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -38.17 75.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 109.063 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -73.68 -48.79 29.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.117 -0.989 . . . . 0.0 109.851 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.28 -46.68 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.919 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -67.76 -45.35 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.294 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.456 ' N ' ' CG2' ' B' ' 21' ' ' ILE . . . -63.16 -37.31 86.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.075 . . . . 0.0 109.488 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -60.88 -44.93 96.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.201 -0.937 . . . . 0.0 109.412 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 33.8 m -62.49 -33.84 75.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 109.874 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -82.56 -58.3 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.986 -1.071 . . . . 0.0 110.382 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.37 82.52 Favored Glycine 0 N--CA 1.504 3.218 0 C-N-CA 119.852 -1.166 . . . . 0.0 110.808 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.328 -1.69 . . . . 0.0 109.535 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.555 0.217 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.7 -32.18 69.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.498 -1.376 . . . . 0.0 110.431 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -68.76 -18.07 22.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.922 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -83.53 -47.04 11.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 108.917 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.89 -42.79 76.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.66 -56.85 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.137 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -44.7 -52.88 7.87 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 111.0 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -61.73 -40.31 94.64 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.681 -0.807 . . . . 0.0 109.36 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -57.94 -48.69 79.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.17 -36.06 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 0.0 109.234 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.77 -45.28 62.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -0.884 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 62.4 m -46.95 -48.13 21.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.048 -1.032 . . . . 0.0 110.02 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -48.05 68.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.063 -1.023 . . . . 0.0 109.794 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.24 -49.71 63.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -64.03 -39.27 93.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.236 -0.915 . . . . 0.0 110.021 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.93 -51.86 67.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 109.787 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.401 HD11 HG23 ' C' ' 21' ' ' ILE . 96.6 mt -63.57 -60.45 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . 0.404 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -45.63 -28.03 0.9 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 110.15 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -73.62 -44.16 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -65.33 -35.89 82.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 110.519 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.9 mp -81.57 -52.96 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.713 -1.242 . . . . 0.0 109.46 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.35 90.83 Favored Glycine 0 N--CA 1.503 3.166 0 C-N-CA 119.595 -1.288 . . . . 0.0 109.978 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -71.24 -43.56 67.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.568 -1.548 . . . . 0.0 109.195 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.92 -36.05 76.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.36 -0.837 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.63 -32.15 68.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.452 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -63.23 -50.13 71.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.0 109.637 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 tt . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.147 -0.971 . . . . 0.0 108.941 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.61 0.719 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -60.23 -25.38 65.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.842 . . . . 0.0 109.589 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 5.9 tp -74.03 -19.4 17.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -79.89 -48.48 13.39 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' D' ' 12' ' ' SER . 12.1 p -58.74 -49.43 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.591 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.91 -52.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -48.78 -40.83 30.37 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 119.913 -1.742 . . . . 0.0 110.984 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' D' ' 9' ' ' SER . 98.6 p -67.08 -32.62 73.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.47 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -63.24 -43.57 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.92 -39.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 0.0 109.452 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -73.21 -42.12 63.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.305 -0.872 . . . . 0.0 109.745 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 29.0 t -54.85 -46.74 74.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.03 63.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.047 -1.033 . . . . 0.0 109.646 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.84 -46.16 64.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.174 -0.954 . . . . 0.0 109.084 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -67.26 -37.45 83.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.9 . . . . 0.0 109.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.65 -52.54 65.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.806 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.88 -40.26 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 109.66 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.46 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.085 -1.009 . . . . 0.0 109.51 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . 0.404 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 47.1 t-105 -69.68 -43.67 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 27.0 m -63.19 -31.9 73.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.83 -60.38 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.0 110.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.66 93.03 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.214 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.81 -50.68 55.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.47 -1.606 . . . . 0.0 109.073 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.28 -47.0 79.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.359 -0.838 . . . . 0.0 109.313 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.86 -33.76 72.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.461 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.25 -40.33 81.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.256 -0.902 . . . . 0.0 109.494 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.1 t80 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 120.722 0.296 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.8 tp-100 -45.92 -63.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.895 -1.128 . . . . 0.0 110.072 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -45.31 -20.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.004 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' GLN . 3.3 tt -75.76 -49.15 19.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.024 -1.048 . . . . 0.0 108.302 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -57.57 -36.21 71.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.0 109.224 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' SER . 20.2 mm -61.37 -56.84 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.269 -0.894 . . . . 0.0 109.23 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -43.03 -49.69 6.07 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.03 -1.669 . . . . 0.0 110.974 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -56.57 -36.7 69.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.402 -0.811 . . . . 0.0 109.463 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.41 -37.08 85.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.888 . . . . 0.0 109.658 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.57 -42.91 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -69.93 -35.54 74.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.91 . . . . 0.0 110.066 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -61.18 -48.38 81.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 109.991 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.27 40.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.008 . . . . 0.0 109.528 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.04 -43.69 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 108.961 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -64.44 -37.93 89.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.346 -0.846 . . . . 0.0 109.407 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.72 -52.93 63.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -0.853 . . . . 0.0 109.832 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.95 -44.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.768 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.14 82.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.934 . . . . 0.0 109.566 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -63.36 -43.53 97.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.194 -0.941 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.0 m -64.35 -33.02 74.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 0.0 109.963 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.95 -59.33 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.928 -1.108 . . . . 0.0 109.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.59 -35.51 91.92 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.75 -1.215 . . . . 0.0 110.279 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -71.32 -50.05 36.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.473 -1.604 . . . . 0.0 109.424 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.74 -35.97 73.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.0 109.453 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 m120 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.155 -0.966 . . . . 0.0 109.519 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 CA-C-O 121.218 0.424 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -87.14 -47.83 8.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.882 . . . . 0.0 111.138 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -46.14 -52.84 11.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.824 -1.172 . . . . 0.0 110.521 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -55.83 -20.25 8.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 CA-C-O 121.201 0.524 . . . . 0.0 109.904 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.76 -50.04 13.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.989 . . . . 0.0 109.009 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -55.29 -37.2 67.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.745 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.75 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.065 -1.022 . . . . 0.0 109.649 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -46.46 -37.84 8.32 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 119.961 -1.712 . . . . 0.0 110.977 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 27.8 p -69.42 -29.78 67.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.621 -1.3 . . . . 0.0 109.933 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -72.26 -56.57 5.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.06 -34.39 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.075 -1.016 . . . . 0.0 109.868 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -38.44 59.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.16 -0.962 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -56.59 -49.64 74.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 110.064 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.51 37.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -50.62 -43.0 56.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -64.53 -36.09 83.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.92 -51.07 68.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.08 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 pt -76.28 -29.25 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 110.051 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 -25.4 62.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.003 . . . . 0.0 109.647 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -84.44 -48.08 10.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.926 . . . . 0.0 109.605 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 44.1 m -67.65 -34.47 77.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.171 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.87 -50.15 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.977 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.26 76.4 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.11 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 120.553 -1.557 . . . . 0.0 109.375 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 120.66 0.267 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.83 -68.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.493 -1.379 . . . . 0.0 110.677 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 tt -46.59 -22.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 121.804 -0.56 . . . . 0.0 110.149 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.71 -39.57 66.87 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.963 -1.086 . . . . 0.0 108.337 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -63.16 -40.93 98.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.463 -0.773 . . . . 0.0 109.171 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' C' ' 10' ' ' ILE . 1.7 mp -62.75 -67.55 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 109.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -43.42 -47.02 6.9 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.152 -1.592 . . . . 0.0 110.968 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -64.12 -39.79 94.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.723 -1.235 . . . . 0.0 108.983 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -65.42 -51.58 59.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.408 -0.808 . . . . 0.0 109.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . 0.406 HG22 HD13 ' C' ' 14' ' ' ILE . 84.6 mt -59.44 -33.44 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.315 -0.866 . . . . 0.0 109.475 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 tp -76.13 -35.81 59.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 109.885 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -60.05 -51.05 71.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 109.934 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.26 52.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 0.0 109.505 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.03 -40.74 70.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -64.5 -45.19 88.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.042 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -54.3 -53.57 51.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.139 -0.976 . . . . 0.0 109.925 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.408 HD11 HG23 ' C' ' 21' ' ' ILE . 97.2 mt -69.59 -52.03 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.871 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.95 -47.43 52.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.945 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -64.02 -43.75 94.66 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.577 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -59.92 -32.36 70.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.782 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.67 -64.0 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.961 -1.087 . . . . 0.0 110.219 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -38.39 68.89 Favored Glycine 0 N--CA 1.504 3.201 0 C-N-CA 119.677 -1.249 . . . . 0.0 110.074 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.9 -51.48 47.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.491 -1.593 . . . . 0.0 109.18 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.16 -35.86 80.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.207 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.5 -38.23 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 109.216 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -55.71 -48.76 74.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tp . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.278 -0.889 . . . . 0.0 109.017 179.785 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.02 0.438 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -52.05 -42.68 63.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.998 -1.064 . . . . 0.0 110.204 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.2 -18.21 19.53 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.203 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.37 -52.17 8.44 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.6 p -59.76 -43.49 94.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.163 -0.96 . . . . 0.0 109.551 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.1 -34.41 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.204 -0.935 . . . . 0.0 109.609 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -71.28 -33.57 69.87 Favored 'General case' 0 C--O 1.209 -1.046 0 O-C-N 120.01 -1.682 . . . . 0.0 110.941 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -71.86 -36.42 70.11 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.714 -0.795 . . . . 0.0 109.664 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.75 -53.68 43.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.838 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tp -63.65 -32.97 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.168 -0.958 . . . . 0.0 109.687 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.06 -35.01 61.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 109.956 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.9 p -62.81 -53.97 46.12 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.132 -0.98 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.98 93.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.548 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.53 -41.33 97.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.356 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.863 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -56.96 -52.32 65.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.54 -38.26 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.728 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.45 65.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 0.0 109.585 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -79.68 -45.44 18.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.588 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.4 m -66.53 -36.45 82.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.099 -1.001 . . . . 0.0 109.827 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 94.1 mt -76.36 -54.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.74 -1.225 . . . . 0.0 110.052 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' D' ' 29' ' ' ASN . . . -63.54 -28.11 71.95 Favored Glycine 0 N--CA 1.504 3.209 0 C-N-CA 119.92 -1.133 . . . . 0.0 110.279 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -87.05 -55.83 3.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.557 -1.555 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.96 -55.36 20.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.778 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' D' ' 30' ' ' GLN . 38.1 p-10 -54.43 -34.82 62.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.02 . . . . 0.0 109.623 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' D' ' 29' ' ' ASN . 38.0 tt0 -58.13 -42.1 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.987 . . . . 0.0 109.316 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 109.479 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 120.804 0.335 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -53.98 -28.13 35.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.74 -1.225 . . . . 0.0 109.974 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -72.57 -20.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.151 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tt -79.3 -48.57 13.88 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 p -59.26 -34.11 71.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.706 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 10' ' ' ILE . 92.8 mt -71.47 -65.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.946 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -44.92 -40.7 6.55 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.012 -1.68 . . . . 0.0 110.965 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -64.17 -43.9 93.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.84 -1.163 . . . . 0.0 109.243 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -54.7 -40.15 68.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.321 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.2 -45.2 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.317 -0.865 . . . . 0.0 109.331 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.68 -35.8 81.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 109.646 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.8 m -56.31 -47.87 77.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.942 . . . . 0.0 109.986 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.49 72.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -50.7 -48.0 58.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.65 -37.73 87.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.777 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.47 -51.18 70.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.891 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.75 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.805 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.41 91.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -68.71 -43.46 75.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -65.06 -34.66 78.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.252 -0.905 . . . . 0.0 109.858 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.53 -57.22 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.9 -1.125 . . . . 0.0 110.139 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.54 83.47 Favored Glycine 0 N--CA 1.503 3.13 0 C-N-CA 119.721 -1.228 . . . . 0.0 110.152 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.61 -49.32 16.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.546 -1.561 . . . . 0.0 109.56 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.55 -38.99 93.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.482 0.821 0 CA-C-O 120.921 0.3 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -101.13 -62.06 1.29 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.201 -0.937 . . . . 0.0 111.249 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.09 -26.87 29.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.672 -1.267 . . . . 0.0 110.14 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.69 -17.42 16.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 109.232 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tt -82.07 -50.62 8.88 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -57.69 -46.51 84.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.626 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.5 mt -62.31 -52.5 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 109.543 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.406 ' C ' ' O ' ' B' ' 10' ' ' ILE . 70.6 m -43.15 -51.57 5.91 Favored 'General case' 0 C--O 1.205 -1.24 0 O-C-N 119.998 -1.689 . . . . 0.0 110.958 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -53.9 -45.94 71.27 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.361 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -51.18 -44.25 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 0.0 109.273 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.402 HD12 HG21 ' B' ' 14' ' ' ILE . 22.1 mm -58.58 -42.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.91 -42.02 86.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.835 . . . . 0.0 109.287 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.7 m -49.39 -51.18 36.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.167 -0.958 . . . . 0.0 109.818 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.04 11.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -47.69 30.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 109.125 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -52.62 -42.69 64.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.57 -47.33 73.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.941 . . . . 0.0 109.687 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.78 -34.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.58 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.11 -37.62 38.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -73.11 -43.79 61.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 109.625 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.503 ' CG2' ' N ' ' B' ' 25' ' ' ILE . 2.5 t -63.27 -47.87 80.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.21 -0.931 . . . . 0.0 109.354 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG2' ' B' ' 24' ' ' THR . 96.7 mt -65.81 -58.34 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -31.93 59.67 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 120.643 -1.504 . . . . 0.0 108.855 179.406 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 75.8 t80 . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.049 0.452 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -45.97 -47.46 16.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.944 -1.098 . . . . 0.0 111.057 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.4 -20.18 24.09 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.776 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -75.19 -50.21 16.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 108.907 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -62.36 -43.99 97.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -37.13 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.089 -1.007 . . . . 0.0 109.821 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -64.7 -39.59 93.91 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 119.971 -1.705 . . . . 0.0 110.945 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -67.92 -36.52 80.32 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.533 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.71 -49.03 76.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -60.34 -45.08 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.55 -48.71 71.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -43.97 -52.54 6.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.513 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.34 89.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.931 -1.106 . . . . 0.0 109.772 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 31.5 tp -52.54 -39.39 61.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 109.662 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -67.65 -58.61 4.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.215 -0.928 . . . . 0.0 110.016 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -51.53 -48.08 63.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.185 -0.947 . . . . 0.0 109.683 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.69 -63.9 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.151 -0.968 . . . . 0.0 109.657 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.31 -26.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 0.0 110.094 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -71.35 -43.2 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.18 -0.95 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -65.28 -35.97 82.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.528 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.6 mp -77.65 -56.2 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.776 -1.202 . . . . 0.0 109.43 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.18 -34.17 87.03 Favored Glycine 0 N--CA 1.504 3.167 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.226 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -73.74 -51.43 16.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.506 -1.585 . . . . 0.0 109.499 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.36 -37.54 86.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -55.41 -38.2 68.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 109.703 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -49.74 76.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.135 -0.978 . . . . 0.0 109.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 109.349 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 121.043 0.449 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.97 -29.92 63.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.077 . . . . 0.0 109.869 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -72.26 -17.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.47 -53.12 6.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 108.727 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.8 p -58.31 -42.71 87.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.419 HD11 HG23 ' D' ' 10' ' ' ILE . 89.7 mt -61.43 -60.2 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.266 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.07 -44.22 7.35 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 119.889 -1.757 . . . . 0.0 110.991 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -64.39 -28.33 69.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -68.53 -54.92 13.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.007 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 pt -60.38 -34.35 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.558 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -74.16 -48.5 28.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.254 -0.904 . . . . 0.0 109.234 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -45.8 -49.04 15.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.137 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.22 84.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.999 -1.063 . . . . 0.0 109.591 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.49 -50.48 71.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.968 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -66.89 -36.24 81.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.37 -49.69 71.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.2 mt -77.91 -45.72 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.916 . . . . 0.0 109.955 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.92 -43.31 71.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.341 -0.849 . . . . 0.0 109.439 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -63.56 -33.87 76.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.223 -0.923 . . . . 0.0 110.112 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -79.58 -58.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.882 -1.136 . . . . 0.0 109.926 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.5 90.75 Favored Glycine 0 N--CA 1.503 3.123 0 C-N-CA 119.752 -1.213 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -70.46 -47.57 60.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.525 -1.573 . . . . 0.0 109.332 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.64 -32.54 67.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.355 -0.841 . . . . 0.0 109.262 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -58.85 -39.79 82.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.225 -0.922 . . . . 0.0 109.379 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -58.75 -45.3 90.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.257 -0.902 . . . . 0.0 109.189 179.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.784 0.326 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -46.74 -51.41 16.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.779 -1.2 . . . . 0.0 110.364 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 tt -54.42 -20.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.82 -46.53 18.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.292 -0.88 . . . . 0.0 108.842 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -62.18 -32.88 73.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 109.925 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.35 -64.1 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.045 -1.035 . . . . 0.0 109.79 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.68 -42.1 11.2 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.085 -1.635 . . . . 0.0 110.952 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -63.0 -38.74 92.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.924 -1.11 . . . . 0.0 109.347 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.51 -49.25 64.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.713 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.17 -45.18 64.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.248 -0.908 . . . . 0.0 109.392 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.4 p -47.29 -45.76 24.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.085 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.06 69.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.067 -1.021 . . . . 0.0 109.762 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.0 -43.89 78.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 109.483 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.31 -36.89 80.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.935 . . . . 0.0 110.004 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -63.9 -51.46 64.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.847 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.7 tt -72.52 -34.61 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 109.879 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.21 71.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -67.39 -43.53 81.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 m -63.21 -35.11 79.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.908 . . . . 0.0 109.816 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -81.04 -58.78 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.82 -1.175 . . . . 0.0 109.824 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.69 -35.43 62.51 Favored Glycine 0 N--CA 1.503 3.127 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -78.18 -54.64 6.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.536 -1.567 . . . . 0.0 109.256 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.22 -52.68 63.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.218 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.486 1.077 0 CA-C-O 121.433 0.514 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -59.08 -46.8 87.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.766 . . . . 0.0 109.249 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.57 -71.36 0.22 Allowed 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.925 -1.109 . . . . 0.0 110.628 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tt -43.9 -25.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.618 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.6 -47.22 56.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.869 -1.144 . . . . 0.0 108.705 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -64.94 -35.55 81.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.1 -56.88 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.918 . . . . 0.0 109.989 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -55.4 -41.94 73.38 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 120.237 -1.539 . . . . 0.0 110.945 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 26.2 m -64.7 -35.82 82.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -69.37 -48.82 60.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.0 109.519 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 93.8 mt -56.21 -35.53 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 109.617 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -74.34 -43.9 54.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.07 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -46.96 -48.63 21.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.202 -0.937 . . . . 0.0 109.725 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -46.23 63.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.147 -0.971 . . . . 0.0 109.29 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.8 -47.81 51.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.336 -0.852 . . . . 0.0 108.949 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -64.19 -36.55 84.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.259 -0.9 . . . . 0.0 109.67 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -60.76 -40.78 93.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.032 -1.042 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mm -78.23 -52.75 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 109.934 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.35 92.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 109.876 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -62.84 -44.41 96.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.885 . . . . 0.0 109.89 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 46.3 m -65.06 -34.88 79.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.78 -55.45 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.906 -1.121 . . . . 0.0 109.962 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -35.07 91.33 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.661 -1.257 . . . . 0.0 110.219 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.49 -1.594 . . . . 0.0 109.24 179.706 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.186 0.517 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -47.5 -39.26 15.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.168 -0.957 . . . . 0.0 110.619 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.83 -21.05 27.91 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 O-C-N 121.86 -0.525 . . . . 0.0 110.196 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -79.2 -45.94 18.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.893 . . . . 0.0 108.633 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 31.2 t -60.27 -33.84 72.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.86 -66.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.996 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 97.2 p -43.8 -37.51 2.78 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.933 -1.729 . . . . 0.0 110.982 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -65.84 -40.21 91.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.488 -1.383 . . . . 0.0 109.034 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.09 -38.64 76.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -62.11 -48.79 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.133 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.55 -27.15 68.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.768 . . . . 0.0 109.912 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.5 m -67.11 -49.48 64.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.29 76.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.103 -0.998 . . . . 0.0 109.395 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.81 -39.55 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -61.87 -48.92 78.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -52.78 -55.66 21.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 109.576 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.42 -47.5 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.655 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.2 61.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.942 . . . . 0.0 109.506 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -66.48 -44.62 82.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.18 -0.95 . . . . 0.0 109.384 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -66.93 -33.07 74.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.0 109.792 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.414 HD12 HG21 ' C' ' 25' ' ' ILE . 97.3 mt -76.05 -57.11 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.93 -1.106 . . . . 0.0 109.841 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.4 -35.57 92.11 Favored Glycine 0 N--CA 1.502 3.042 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.112 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -70.0 -44.79 68.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.476 -1.602 . . . . 0.0 109.079 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.22 -36.28 83.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.023 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.912 . . . . 0.0 109.403 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -57.91 -48.92 78.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.303 -0.873 . . . . 0.0 109.13 179.819 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.212 0.53 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -52.64 -34.09 49.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 110.312 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.9 tt -72.79 -16.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.219 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.38 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -80.05 -53.02 7.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -59.95 -44.44 94.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.0 109.542 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.32 -36.97 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.1 m -62.19 -38.84 90.64 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 119.939 -1.726 . . . . 0.0 110.934 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' D' ' 16' ' ' SER . 23.4 t -66.49 -33.99 76.92 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.799 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.96 -60.03 3.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 0.0 110.121 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' D' ' 15' ' ' LEU . 0.2 OUTLIER -54.85 -43.59 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.29 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' D' ' 14' ' ' ILE . 1.2 tt -65.5 -42.72 91.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.078 -1.014 . . . . 0.0 109.425 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' D' ' 12' ' ' SER . 74.6 m -48.41 -53.81 16.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.012 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.17 80.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.105 -0.997 . . . . 0.0 109.737 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -51.24 -45.46 61.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.186 -0.946 . . . . 0.0 109.319 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -68.69 -37.89 79.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.38 -55.89 15.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.931 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 20.5 tt -64.65 -39.38 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.162 -0.961 . . . . 0.0 109.763 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.98 97.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 0.0 109.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -60.16 -43.69 95.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.935 . . . . 0.0 109.463 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 45.4 m -66.04 -34.38 77.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 109.87 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.11 -57.07 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.812 -1.18 . . . . 0.0 109.808 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.35 88.1 Favored Glycine 0 N--CA 1.503 3.12 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.106 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -75.49 -52.62 10.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.5 -1.588 . . . . 0.0 109.332 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.05 -41.36 96.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -0.839 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.79 -41.86 87.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.154 -0.966 . . . . 0.0 109.493 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -54.48 -45.76 73.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.0 109.313 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 pt . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.256 -0.903 . . . . 0.0 109.519 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -55.48 -40.65 71.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.788 -1.195 . . . . 0.0 109.769 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 tt -63.44 -20.75 26.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.225 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.279 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.54 -37.32 43.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 108.917 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -64.53 -48.62 74.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.0 110.021 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 pt -77.27 -24.81 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 110.267 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -78.38 -48.03 16.4 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 119.772 -1.83 . . . . 0.0 110.992 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t -67.74 -25.24 65.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.238 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -72.05 -60.93 1.98 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 tt -55.1 -35.74 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 109.159 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.16 -40.21 65.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 108.862 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.8 t -48.65 -47.34 40.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.12 33.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.226 -0.921 . . . . 0.0 109.384 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -49.11 -45.3 43.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 0.0 109.292 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.8 -33.05 74.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.681 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -67.13 -51.01 59.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 21' ' ' ILE . 19.1 pt -74.41 -29.39 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.66 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.51 72.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.967 . . . . 0.0 109.4 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -77.36 -46.23 23.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -68.47 -34.65 76.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.181 -0.949 . . . . 0.0 109.866 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.39 -53.95 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.685 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.93 88.58 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -76.73 -51.95 10.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.698 -1.472 . . . . 0.0 109.031 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.65 -49.44 73.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.025 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.0 109.534 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.484 0.969 0 CA-C-O 121.204 0.418 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.71 -43.31 9.65 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 111.1 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -45.4 -64.19 0.78 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.925 -1.109 . . . . 0.0 110.387 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.49 -21.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.29 -53.83 11.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.877 -1.139 . . . . 0.0 108.564 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -53.12 -38.27 62.5 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.275 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.1 -57.54 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.166 -0.959 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.29 -43.29 7.29 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 120.241 -1.537 . . . . 0.0 110.963 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 10.8 t -67.18 -42.9 83.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.663 -1.273 . . . . 0.0 109.577 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.58 -48.58 78.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.34 -40.92 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.177 -0.952 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.58 -34.78 76.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -57.37 -52.18 66.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.084 -1.01 . . . . 0.0 109.555 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.61 -55.06 11.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 109.31 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.1 -40.74 24.31 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 108.95 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -60.61 -45.32 94.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.59 -52.7 50.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.764 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.52 -38.72 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.237 -0.914 . . . . 0.0 109.582 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.65 68.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 109.721 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -62.05 -44.15 97.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.129 -0.982 . . . . 0.0 109.541 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.3 m -59.86 -34.27 72.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.967 . . . . 0.0 109.859 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -85.45 -60.52 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.912 -1.118 . . . . 0.0 110.308 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -34.58 58.39 Favored Glycine 0 N--CA 1.505 3.275 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.67 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 120.396 -1.65 . . . . 0.0 109.515 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' C' ' 5' ' ' PHE . 84.3 t80 . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.005 0.431 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -73.4 -40.9 63.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.685 -1.259 . . . . 0.0 110.788 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -71.27 -23.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 O-C-N 121.674 -0.641 . . . . 0.0 110.146 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.36 -43.2 41.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.896 -1.127 . . . . 0.0 108.456 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' C' ' 10' ' ' ILE . 20.0 p -64.96 -43.84 91.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.488 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.57 ' N ' ' HG ' ' C' ' 9' ' ' SER . 96.6 mt -61.3 -61.88 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 0.0 109.722 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.43 -42.54 7.08 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 120.001 -1.687 . . . . 0.0 110.967 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -62.19 -46.35 89.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.682 -1.261 . . . . 0.0 109.509 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.86 -43.76 97.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.667 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.51 -40.69 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 110.168 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.25 -31.95 69.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 0.0 109.616 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -62.58 -54.21 43.08 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.856 -1.153 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.89 72.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.951 -1.093 . . . . 0.0 109.526 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.81 -33.49 75.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -72.63 -40.74 66.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.913 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.86 -57.38 10.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.715 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 tt -56.66 -38.48 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.155 -0.965 . . . . 0.0 109.662 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -35.95 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -68.54 -43.02 77.61 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.3 m -67.57 -33.72 75.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 110.023 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -77.92 -55.03 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.807 -1.183 . . . . 0.0 109.843 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.55 -34.36 89.7 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.05 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -72.5 -46.44 54.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.575 -1.544 . . . . 0.0 109.314 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.08 -34.35 70.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 0.0 109.215 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.9 -37.58 88.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 109.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -53.14 -38.21 62.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 122.315 1.055 . . . . 0.0 108.825 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 t80 . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.74 -34.1 69.24 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.966 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -66.68 -23.83 31.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.58 -44.12 29.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.179 -0.95 . . . . 0.0 108.565 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -53.34 -43.02 67.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.409 -0.807 . . . . 0.0 109.175 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -64.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.77 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.7 -46.37 10.29 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 120.043 -1.661 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -65.34 -35.33 80.66 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.865 -1.147 . . . . 0.0 109.045 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.77 -42.81 98.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.39 -0.819 . . . . 0.0 109.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.8 -44.52 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.356 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.59 -46.41 66.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.414 -0.804 . . . . 0.0 109.359 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.2 m -46.58 -46.8 19.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.963 . . . . 0.0 109.931 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.29 65.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 0.0 109.375 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -51.97 67.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 0.0 109.173 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -67.51 -30.56 70.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.718 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.26 -43.24 87.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.931 . . . . 0.0 109.606 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -80.04 -49.17 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.64 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 109.774 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.83 -42.97 72.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.225 -0.922 . . . . 0.0 109.657 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -65.72 -35.9 82.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.4 mt -79.86 -55.89 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.783 -1.198 . . . . 0.0 109.824 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -34.29 76.58 Favored Glycine 0 N--CA 1.503 3.125 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.45 -52.89 7.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.653 -1.499 . . . . 0.0 109.254 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.05 -51.57 66.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.341 -0.849 . . . . 0.0 109.242 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.99 -34.85 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.163 -0.96 . . . . 0.0 109.578 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -57.43 11.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.203 -0.935 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.019 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -45.31 -59.98 2.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.971 -1.08 . . . . 0.0 110.374 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -51.68 -20.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 O-C-N 121.943 -0.473 . . . . 0.0 110.154 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -73.42 -47.39 42.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.973 -1.08 . . . . 0.0 108.162 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.45 -37.3 77.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.298 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.2 -62.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.563 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.26 -45.08 5.67 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 120.339 -1.476 . . . . 0.0 110.972 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -62.0 -37.53 85.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.627 -1.296 . . . . 0.0 109.331 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.75 -45.89 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 0.0 109.277 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.44 -32.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -38.59 50.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.85 . . . . 0.0 109.565 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 109.995 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.48 54.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.444 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 tp -54.47 -49.88 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.154 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.87 -40.19 94.52 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.612 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.92 -52.21 66.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.128 -0.982 . . . . 0.0 109.634 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.84 -38.79 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -0.885 . . . . 0.0 109.9 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.224 -0.922 . . . . 0.0 109.699 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -74.68 -43.96 52.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -67.51 -33.82 75.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.227 -0.92 . . . . 0.0 110.107 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 95.7 mt -77.33 -54.29 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.904 -1.123 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -33.91 87.47 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.979 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -73.01 -48.29 37.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.575 -1.544 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.98 -40.3 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 21.1 m120 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.926 . . . . 0.0 109.424 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo . . . . . 0 N--CA 1.496 1.645 0 CA-C-O 121.113 0.381 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.48 ' O ' ' CD2' ' B' ' 5' ' ' PHE . 66.1 t80 -76.52 1.93 15.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.239 -0.913 . . . . 0.0 110.132 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -74.63 -29.86 61.44 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.996 -1.065 . . . . 0.0 110.912 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.66 -26.33 16.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 121.426 -0.796 . . . . 0.0 110.125 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.72 -41.37 45.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.915 -1.116 . . . . 0.0 108.105 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -60.12 -45.16 93.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 0.0 109.845 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.7 mt -64.07 -61.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.092 -1.005 . . . . 0.0 110.387 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.428 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.1 m -41.03 -46.37 2.86 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 120.009 -1.682 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -63.75 -34.45 77.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.493 -1.38 . . . . 0.0 109.579 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 10' ' ' ILE . 83.3 t80 -64.09 -57.2 10.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 pt -61.19 -36.33 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.139 -0.976 . . . . 0.0 110.109 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.13 -46.49 64.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.47 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -50.01 -54.0 23.03 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.943 . . . . 0.0 110.194 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.921 -1.112 . . . . 0.0 109.578 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -48.05 69.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 108.669 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -66.55 -52.02 50.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.0 109.486 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -48.27 -44.41 33.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.013 -1.054 . . . . 0.0 109.739 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mm -77.02 -63.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.41 -26.31 0.53 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 110.343 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -81.03 -45.7 16.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.163 -0.961 . . . . 0.0 109.668 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.6 m -66.61 -41.08 88.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.105 -0.997 . . . . 0.0 110.424 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' B' ' 25' ' ' ILE . 1.8 mp -79.11 -43.97 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.463 -1.398 . . . . 0.0 109.544 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -23.71 70.81 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 120.679 -1.483 . . . . 0.0 110.714 -179.648 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -55.91 6.32 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 119.57 -1.956 . . . . 0.0 110.924 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.9 -23.85 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.97 -1.081 . . . . 0.0 109.774 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -42.1 89.57 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -68.54 -43.59 76.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.646 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.51 -50.4 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.0 -1.063 . . . . 0.0 110.12 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -56.98 -47.63 80.32 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 119.804 -1.81 . . . . 0.0 110.979 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -64.09 -29.34 70.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.876 -1.14 . . . . 0.0 109.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.78 -52.8 15.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.42 -32.93 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.98 -36.93 56.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.24 -0.913 . . . . 0.0 109.695 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -61.83 -50.78 70.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.032 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -42.59 74.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.065 -1.022 . . . . 0.0 109.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.88 -36.48 83.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.07 -46.96 75.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.993 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.42 -56.35 22.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.088 -1.008 . . . . 0.0 109.724 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.38 -57.5 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.958 . . . . 0.0 109.607 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.4 -33.7 2.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.224 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -74.75 -44.16 51.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.141 -0.974 . . . . 0.0 109.996 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -62.32 -35.92 80.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.7 mp -82.01 -58.0 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.722 -1.236 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.64 61.09 Favored Glycine 0 N--CA 1.504 3.19 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.096 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.25 -47.43 50.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.526 -1.573 . . . . 0.0 109.105 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.63 -35.77 68.71 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.183 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.01 -34.12 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.78 -50.48 66.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.965 . . . . 0.0 109.686 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.067 -1.021 . . . . 0.0 108.965 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.16 0.505 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' D' ' 8' ' ' LEU . 55.3 tp60 -51.18 -71.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -0.984 . . . . 0.0 109.981 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -41.65 -21.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.507 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' D' ' 6' ' ' GLN . 3.3 tt -75.04 -53.31 9.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.474 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -55.95 -36.47 67.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.258 -0.901 . . . . 0.0 109.259 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' D' ' 11' ' ' SER . 18.2 mm -60.63 -56.41 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.109 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.4 m -42.18 -51.16 4.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 120.04 -1.662 . . . . 0.0 110.973 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -44.36 77.32 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.59 -34.79 65.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.925 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.77 -53.5 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.522 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.06 -30.31 70.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 0.0 109.441 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -60.16 -46.95 87.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.0 109.825 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.37 53.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.0 109.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.28 -47.5 81.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.97 -40.64 96.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.907 . . . . 0.0 109.833 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.27 -51.72 65.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.821 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.1 -43.16 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.3 69.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 109.594 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -73.0 -43.76 61.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 0.0 109.417 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 43.3 m -64.46 -34.99 79.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.261 -0.9 . . . . 0.0 109.816 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.26 -58.95 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.791 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.42 -35.52 79.77 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -69.8 -46.62 65.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.648 -1.501 . . . . 0.0 109.123 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.43 -37.87 88.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.357 -0.839 . . . . 0.0 109.227 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.34 -37.35 74.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.928 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.78 -46.35 89.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 pt . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 109.109 179.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.502 2.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -54.07 -24.51 17.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.804 -1.185 . . . . 0.0 109.753 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 tt -73.2 -23.05 19.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.302 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.31 -44.4 21.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 108.556 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -57.92 -41.96 83.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.379 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.97 -65.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 0.0 109.626 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -46.1 -45.19 16.21 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 119.986 -1.697 . . . . 0.0 110.958 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -68.75 -21.1 64.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.744 -1.222 . . . . 0.0 109.688 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.6 -58.43 3.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.208 -0.933 . . . . 0.0 109.877 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.75 -36.48 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.997 -1.065 . . . . 0.0 109.542 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.17 -35.52 66.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.054 . . . . 0.0 109.406 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -55.92 -49.14 74.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 0.0 109.575 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.26 91.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.162 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.3 60.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.368 -0.832 . . . . 0.0 109.144 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -66.28 -30.95 71.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 109.798 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.57 -48.06 81.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.95 . . . . 0.0 109.939 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 21' ' ' ILE . 24.8 pt -75.49 -29.92 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.069 -1.019 . . . . 0.0 109.636 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.46 78.36 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -75.97 -48.31 21.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.287 -0.883 . . . . 0.0 109.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -65.37 -34.49 78.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.119 -0.988 . . . . 0.0 110.327 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.54 -53.33 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.794 -1.191 . . . . 0.0 109.93 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.68 -33.51 84.61 Favored Glycine 0 N--CA 1.503 3.138 0 C-N-CA 119.647 -1.263 . . . . 0.0 109.985 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -72.21 -45.24 61.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.551 -1.558 . . . . 0.0 109.1 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.03 -36.21 74.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.196 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.3 m120 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 N--CA 1.484 0.958 0 CA-C-O 121.261 0.442 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -76.28 -47.03 25.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.194 -0.942 . . . . 0.0 110.882 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 8' ' ' LEU . 1.6 tp-100 -47.02 -66.76 0.36 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.875 -1.14 . . . . 0.0 110.005 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -45.01 -21.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.425 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 6' ' ' GLN . 2.6 tt -75.06 -50.16 17.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.85 -1.156 . . . . 0.0 108.499 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -57.64 -35.05 69.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.861 . . . . 0.0 109.319 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.91 -54.53 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -44.83 -48.16 11.03 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 120.041 -1.662 . . . . 0.0 110.978 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -57.92 -45.23 86.84 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.607 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -63.55 -48.45 77.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.687 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.41 -43.52 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.744 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -67.33 -34.73 77.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 109.653 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -59.29 -56.93 15.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -0.944 . . . . 0.0 109.914 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.62 68.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.598 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -56.52 19.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.92 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' B' ' 20' ' ' PHE . 4.1 p80 -65.4 -29.12 69.79 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.015 -1.053 . . . . 0.0 109.85 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.607 ' N ' ' ND1' ' B' ' 19' ' ' HIS . 83.9 t80 -58.51 -45.76 88.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.963 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.75 -37.54 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.69 67.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -81.98 -55.14 4.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.0 m -62.9 -34.56 77.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.024 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.75 -54.3 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.899 -1.125 . . . . 0.0 109.73 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -30.18 76.71 Favored Glycine 0 N--CA 1.502 3.045 0 C-N-CA 119.733 -1.222 . . . . 0.0 110.059 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 120.534 -1.568 . . . . 0.0 109.407 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 30.4 t80 . . . . . 0 N--CA 1.503 2.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -47.63 -54.68 11.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.724 -1.235 . . . . 0.0 110.094 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.494 ' O ' ' OG ' ' C' ' 11' ' ' SER . 20.4 tt -51.74 -18.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.845 -0.535 . . . . 0.0 109.825 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -80.82 -51.81 8.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.155 -0.966 . . . . 0.0 108.75 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -59.59 -48.58 81.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.218 -0.926 . . . . 0.0 109.711 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.528 ' N ' ' CD1' ' C' ' 10' ' ' ILE . 1.5 mp -66.3 -56.21 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.166 -0.959 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' C' ' 7' ' ' ILE . 75.1 m -41.06 -52.31 3.22 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 119.961 -1.712 . . . . 0.0 110.964 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -57.77 -40.64 80.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.63 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . 0.417 ' O ' ' OG ' ' C' ' 16' ' ' SER . 33.3 t80 -65.42 -50.02 67.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.321 -0.862 . . . . 0.0 109.855 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.98 -38.14 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.241 -0.912 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.49 -41.02 66.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.192 -0.943 . . . . 0.0 109.453 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' C' ' 13' ' ' PHE . 97.9 p -51.82 -49.47 62.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.105 -0.997 . . . . 0.0 110.003 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.64 84.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.166 -0.959 . . . . 0.0 109.776 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 19.3 tp -55.86 -50.02 71.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.66 -45.91 87.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.18 -0.95 . . . . 0.0 109.686 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -48.6 -53.33 18.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.925 . . . . 0.0 109.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.53 -59.86 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.138 -0.976 . . . . 0.0 109.496 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -77.36 -45.58 25.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -0.953 . . . . 0.0 109.764 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -59.29 -36.61 75.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.926 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.7 mp -83.33 -60.03 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.729 -1.232 . . . . 0.0 109.41 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.11 -34.94 32.63 Favored Glycine 0 N--CA 1.504 3.18 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.136 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -81.65 -58.61 2.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.547 -1.56 . . . . 0.0 109.318 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.86 -51.57 68.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' C' ' 29' ' ' ASN . 47.6 t-20 -52.46 -33.81 46.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -63.57 -55.76 21.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 109.612 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.061 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -46.65 -74.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.372 1.082 . . . . 0.0 110.61 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -58.63 -19.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.608 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -45.44 63.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -65.83 -47.96 73.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.736 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mt -63.74 -46.1 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.053 -1.03 . . . . 0.0 109.541 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -49.87 -49.69 48.47 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 119.925 -1.734 . . . . 0.0 111.003 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -60.79 -31.33 70.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 109.62 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -73.11 -53.58 10.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.501 -0.75 . . . . 0.0 109.957 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.92 -41.16 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.0 109.427 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.24 -46.14 68.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.128 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -45.42 -48.45 13.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.164 -0.96 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.84 74.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -51.14 -43.08 61.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -68.16 -30.92 70.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.9 -50.09 72.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.915 . . . . 0.0 109.808 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 16.5 pt -73.33 -31.52 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.162 -0.961 . . . . 0.0 109.749 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.83 74.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 0.0 109.667 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -77.89 -46.72 20.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -68.73 -32.74 72.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.111 -0.993 . . . . 0.0 110.162 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.69 -51.84 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.873 -1.142 . . . . 0.0 109.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.12 -32.47 76.62 Favored Glycine 0 N--CA 1.503 3.116 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.222 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.42 -48.69 18.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.52 -1.576 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.22 -39.83 73.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.523 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.82 -39.71 74.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -58.95 -44.37 91.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.0 109.264 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.26 -0.9 . . . . 0.0 109.324 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.038 0.447 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -46.3 -48.6 18.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.98 -1.075 . . . . 0.0 110.627 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.81 -21.08 25.0 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 0 O-C-N 121.903 -0.498 . . . . 0.0 110.097 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.71 -38.43 58.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.012 -1.055 . . . . 0.0 108.863 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -66.39 -46.27 77.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.855 . . . . 0.0 109.423 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 mp -72.79 -20.9 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.0 109.077 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -81.08 -49.56 10.72 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.889 -1.757 . . . . 0.0 110.945 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -64.99 -26.99 68.53 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.063 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.68 -61.38 1.83 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 0.0 109.778 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -57.11 -31.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.86 -33.43 62.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 109.567 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m -61.98 -53.34 56.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.887 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.58 70.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.39 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.23 -41.08 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 109.083 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -71.96 -36.35 69.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -67.87 -54.53 18.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.188 -0.945 . . . . 0.0 109.673 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -36.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.186 -0.946 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.07 -34.41 78.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.865 . . . . 0.0 109.624 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -71.58 -44.34 64.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.349 -0.844 . . . . 0.0 109.562 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -61.77 -32.9 73.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.185 -0.947 . . . . 0.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 82.8 mt -85.41 -61.02 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.964 -1.085 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . -51.95 -35.85 41.22 Favored Glycine 0 N--CA 1.504 3.229 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.299 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.62 -48.8 13.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.413 -1.639 . . . . 0.0 109.661 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -68.44 -53.48 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 109.946 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 26' ' ' GLY . 39.4 p-10 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.962 -1.086 . . . . 0.0 109.878 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 N--CA 1.485 1.029 0 CA-C-O 121.247 0.436 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -86.06 -44.17 12.51 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 110.857 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -45.92 -63.95 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.937 -1.102 . . . . 0.0 110.036 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.3 -21.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.832 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.33 -50.15 19.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.025 -1.047 . . . . 0.0 108.431 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -56.11 -33.48 65.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.317 -0.864 . . . . 0.0 109.302 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.69 -58.85 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.0 109.551 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.55 -40.17 3.83 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.292 -1.505 . . . . 0.0 110.953 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -63.22 -44.16 96.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.657 -1.277 . . . . 0.0 109.382 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.59 -47.57 69.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.36 -0.837 . . . . 0.0 109.582 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.413 HD13 HG23 ' B' ' 14' ' ' ILE . 97.6 mt -56.5 -40.83 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.928 . . . . 0.0 109.514 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -45.13 60.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.278 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -48.29 -49.06 35.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.968 . . . . 0.0 109.86 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.82 -49.88 54.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.33 -51.13 48.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.246 -0.909 . . . . 0.0 109.174 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.72 -34.94 79.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.742 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.5 -44.29 96.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.481 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.06 -44.86 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 109.662 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.98 81.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.799 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -62.63 -44.08 97.2 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.205 -0.935 . . . . 0.0 109.586 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -62.19 -33.88 75.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.17 -58.29 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.954 -1.091 . . . . 0.0 110.197 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.22 70.82 Favored Glycine 0 N--CA 1.504 3.182 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.638 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 t60 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 120.317 -1.696 . . . . 0.0 109.375 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.724 0.297 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -44.62 -55.31 5.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.005 -1.06 . . . . 0.0 110.753 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.54 -19.19 10.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.162 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.26 -52.21 9.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.041 -1.037 . . . . 0.0 108.97 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -60.79 -40.96 94.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.971 . . . . 0.0 109.697 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.52 -36.71 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.122 -0.986 . . . . 0.0 109.663 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -63.87 -41.81 97.66 Favored 'General case' 0 C--O 1.207 -1.179 0 O-C-N 119.918 -1.739 . . . . 0.0 110.968 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 -28.45 68.29 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.625 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -66.94 -59.03 3.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 0.0 110.023 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 14.2 tt -56.23 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.105 -0.997 . . . . 0.0 109.725 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.3 -42.47 62.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.345 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 61.6 m -50.91 -50.86 56.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.0 109.981 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.4 97.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.062 -1.024 . . . . 0.0 109.555 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.5 -39.62 70.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -65.03 -40.74 95.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.685 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.72 -54.65 42.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 109.869 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.02 -47.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.696 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.79 65.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 0.0 109.414 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -63.45 -45.79 89.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.334 -0.854 . . . . 0.0 109.499 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -67.26 -32.93 74.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.946 . . . . 0.0 109.91 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -75.51 -56.27 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 109.885 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.6 91.02 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 119.575 -1.298 . . . . 0.0 109.895 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.77 -36.81 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.507 -1.584 . . . . 0.0 109.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.56 -32.03 42.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -60.94 -38.92 87.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.031 -1.043 . . . . 0.0 110.521 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.47 -40.97 93.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.979 -1.076 . . . . 0.0 110.177 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 tp . . . . . 0 N--CA 1.497 1.88 0 O-C-N 120.927 -1.108 . . . . 0.0 109.0 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 121.244 0.545 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -47.41 -47.49 26.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.959 -1.088 . . . . 0.0 110.641 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 tp -68.13 -19.69 24.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-O 121.337 0.589 . . . . 0.0 109.783 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.86 -43.62 62.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.155 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -67.11 -50.25 62.12 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.42 HD13 HG23 ' D' ' 10' ' ' ILE . 95.9 mt -61.56 -34.16 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.116 -0.99 . . . . 0.0 109.812 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -72.24 -43.27 64.62 Favored 'General case' 0 C--O 1.202 -1.417 0 O-C-N 119.815 -1.803 . . . . 0.0 110.993 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -60.62 -30.8 70.07 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.539 -0.865 . . . . 0.0 108.796 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -68.41 -46.05 70.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.463 -0.773 . . . . 0.0 109.131 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 mm -59.4 -45.02 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.506 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -66.62 -35.93 81.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.904 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -58.31 -51.49 69.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.0 110.232 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.95 -27.72 66.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.972 -1.08 . . . . 0.0 109.964 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -52.74 60.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.697 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -63.38 -43.62 97.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 110.131 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -56.09 -47.64 77.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 110.184 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mm -69.97 -43.17 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 0.0 109.796 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.86 99.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.123 -0.986 . . . . 0.0 109.899 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -62.99 -43.87 97.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.178 -0.951 . . . . 0.0 109.678 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.8 m -61.87 -34.04 75.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.944 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.33 -60.15 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -37.32 73.55 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.17 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.23 -50.12 43.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.466 -1.608 . . . . 0.0 109.249 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.76 -36.8 85.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 0.0 109.227 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -56.9 -41.6 78.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.927 . . . . 0.0 109.495 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.91 -48.11 82.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.248 -0.907 . . . . 0.0 109.014 179.624 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' GLN . 37.0 t80 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.475 0.179 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 8' ' ' LEU . 65.8 tt0 -46.25 -65.82 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 110.09 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.47 -20.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.047 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' GLN . 3.0 tt -74.61 -51.37 14.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.956 -1.09 . . . . 0.0 108.39 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -58.76 -37.9 77.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.261 -0.9 . . . . 0.0 109.387 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.89 -57.77 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.256 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -43.29 -51.24 6.37 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 120.001 -1.687 . . . . 0.0 111.011 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -58.67 -38.53 78.38 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.312 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.29 -41.92 94.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.35 -50.35 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 109.304 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -40.16 95.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -48.25 -51.18 26.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.11 -0.993 . . . . 0.0 109.683 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.93 65.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.21 -0.931 . . . . 0.0 109.618 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -43.05 79.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.132 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -67.68 -36.51 80.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.713 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.38 -49.08 78.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -77.66 -37.74 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.048 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.48 76.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.122 -0.986 . . . . 0.0 109.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -64.87 -43.67 92.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.197 -0.94 . . . . 0.0 109.788 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -64.65 -35.75 82.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.87 -57.02 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.796 -1.19 . . . . 0.0 109.855 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -33.98 82.58 Favored Glycine 0 N--CA 1.503 3.112 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -77.79 -51.09 11.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.582 -1.54 . . . . 0.0 109.426 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.67 -42.57 95.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.286 -0.884 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.969 . . . . 0.0 109.49 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 CA--C 1.539 0.725 0 N-CA-C 112.739 0.246 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -108.26 -68.48 0.9 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.267 -0.896 . . . . 0.0 111.415 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -45.88 -63.81 0.89 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.831 -1.168 . . . . 0.0 110.62 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -46.88 -22.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 121.172 0.51 . . . . 0.0 109.775 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.12 -48.06 25.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.035 -1.04 . . . . 0.0 108.503 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -56.06 -31.85 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 108.97 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 26.0 mm -66.05 -54.54 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -44.37 -48.96 9.8 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.353 -1.467 . . . . 0.0 110.936 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.0 t -62.05 -41.27 97.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.585 -1.322 . . . . 0.0 109.511 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.31 -49.29 77.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.353 -0.842 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.86 -38.12 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.868 . . . . 0.0 109.596 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.25 -45.45 63.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -47.14 -50.82 19.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.193 -0.942 . . . . 0.0 109.8 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.52 76.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.389 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -46.94 66.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 0.0 109.013 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -68.27 -36.31 79.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.99 -55.19 27.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.735 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.37 -35.49 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.58 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.19 71.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -65.34 -46.23 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -66.85 -34.45 77.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.021 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -76.44 -54.1 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.863 -1.148 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -33.92 87.32 Favored Glycine 0 N--CA 1.502 3.078 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 120.548 -1.56 . . . . 0.0 109.076 179.637 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.216 -0.666 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' C' ' 7' ' ' ILE . 9.9 pt20 -56.2 -42.29 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.488 ' N ' ' CG ' ' C' ' 6' ' ' GLN . 8.1 tp -58.79 -22.1 20.41 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.063 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.0 -41.0 26.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.205 -0.934 . . . . 0.0 109.064 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -59.24 -51.42 70.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' C' ' 11' ' ' SER . 2.3 mp -69.47 -58.72 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.057 -1.027 . . . . 0.0 109.286 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.6 m -45.41 -49.87 12.89 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 119.914 -1.741 . . . . 0.0 110.971 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -58.91 -37.2 76.1 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.423 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -61.82 -45.48 93.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 109.551 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.04 -45.01 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 109.58 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.17 -36.04 78.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -56.5 -54.61 43.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.049 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -57.8 5.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.054 -1.029 . . . . 0.0 109.702 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.35 -33.71 6.11 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 109.519 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -69.69 -40.67 76.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.709 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -72.08 -51.2 22.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.833 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.413 HG21 HD13 ' C' ' 21' ' ' ILE . 30.2 mm -55.63 -47.91 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.09 74.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.643 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -71.48 -43.5 66.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.825 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 61.4 m -66.8 -32.97 74.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.251 -0.906 . . . . 0.0 110.132 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.4 HD11 HG23 ' C' ' 25' ' ' ILE . 85.9 mt -81.45 -55.19 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.888 -1.132 . . . . 0.0 110.023 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.81 92.0 Favored Glycine 0 N--CA 1.503 3.1 0 C-N-CA 119.597 -1.287 . . . . 0.0 109.964 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.08 -44.23 63.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.523 -1.575 . . . . 0.0 109.29 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.45 -35.78 78.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.46 -35.77 70.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.718 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.66 -51.81 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.947 . . . . 0.0 109.596 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.1 tt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.0 109.09 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -46.2 -52.09 13.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.857 -1.152 . . . . 0.0 110.429 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.12 -18.56 5.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.357 0.599 . . . . 0.0 109.496 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -78.5 -53.16 7.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.91 . . . . 0.0 108.786 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.0 p -56.86 -45.13 82.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 0.0 109.679 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' D' ' 11' ' ' SER . 96.2 mt -62.58 -51.5 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.162 -0.962 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.407 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.2 m -42.27 -52.71 4.38 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 120.061 -1.65 . . . . 0.0 110.961 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.491 ' HG ' ' N ' ' D' ' 13' ' ' PHE . 97.6 p -59.86 -42.34 93.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . 0.491 ' N ' ' HG ' ' D' ' 12' ' ' SER . 54.3 t80 -55.54 -36.38 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.331 -0.855 . . . . 0.0 109.556 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.61 -44.63 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.27 -29.65 62.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.194 -0.941 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' SER . . . . . 0.575 ' HG ' ' N ' ' D' ' 17' ' ' ALA . 65.5 p -64.36 -43.64 93.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . 0.575 ' N ' ' HG ' ' D' ' 16' ' ' SER . . . -77.61 -51.13 11.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.394 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -53.54 -37.95 63.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -69.73 -42.56 73.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -63.02 -57.0 12.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.123 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -59.85 -34.15 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.145 -0.972 . . . . 0.0 110.026 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.18 -22.4 52.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.886 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -80.79 -46.48 15.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.1 -1.0 . . . . 0.0 109.502 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' D' ' 25' ' ' ILE . 3.5 t -63.18 -47.64 81.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.925 . . . . 0.0 109.363 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG2' ' D' ' 24' ' ' THR . 96.7 mt -63.15 -57.62 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.842 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -27.17 67.47 Favored Glycine 0 N--CA 1.501 3.032 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -81.06 -55.88 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.764 -1.433 . . . . 0.0 109.316 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.51 -43.28 55.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.363 -0.835 . . . . 0.0 109.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -55.82 -34.92 65.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.932 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.52 -45.19 94.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.293 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.195 -0.94 . . . . 0.0 109.456 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 120.855 0.36 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -53.9 -26.0 22.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.68 -1.262 . . . . 0.0 110.06 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 tt -72.2 -20.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -79.31 -47.05 16.52 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -57.18 -37.98 72.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -0.808 . . . . 0.0 109.718 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.08 -67.24 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 109.989 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.79 -43.78 8.87 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 120.086 -1.634 . . . . 0.0 110.967 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -61.36 -43.89 98.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.813 -1.18 . . . . 0.0 109.22 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.06 -50.13 74.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.45 -34.73 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -74.01 -43.94 56.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 0.0 109.42 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -50.23 -51.63 42.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.02 . . . . 0.0 109.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -42.03 94.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.02 -1.05 . . . . 0.0 109.578 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.2 tp -50.92 -45.03 60.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.24 -38.11 89.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.494 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.58 -52.76 64.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -70.93 -44.78 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.231 -0.918 . . . . 0.0 109.567 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.75 70.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.7 -43.36 66.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.288 -0.882 . . . . 0.0 109.547 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.4 m -66.17 -35.15 79.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 110.056 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.84 -55.52 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.881 -1.137 . . . . 0.0 109.747 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.28 83.96 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -75.2 -49.64 18.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.588 -1.536 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.23 -41.56 94.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -0.87 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.152 -0.968 . . . . 0.0 109.525 -179.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo . . . . . 0 N--CA 1.485 0.983 0 N-CA-C 113.252 0.443 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -74.91 -34.74 62.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.473 -0.767 . . . . 0.0 112.318 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -54.36 -72.45 0.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.147 -1.596 . . . . 0.0 109.988 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -48.68 -20.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-O 121.225 0.536 . . . . 0.0 110.074 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -55.9 5.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.955 . . . . 0.0 109.46 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -57.1 -54.69 43.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 109.798 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' B' ' 10' ' ' ILE . 1.7 mp -54.15 -36.76 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 108.772 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -57.69 -43.14 84.88 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 120.039 -1.663 . . . . 0.0 110.928 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -61.27 -38.27 86.13 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.352 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -62.01 -49.12 77.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.574 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.1 mt -53.08 -50.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 109.373 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.72 -37.26 81.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.225 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.5 t -51.05 -42.22 60.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.0 65.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.207 -0.933 . . . . 0.0 109.32 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -46.86 86.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.966 . . . . 0.0 108.904 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -60.42 -42.67 96.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -69.61 -49.8 50.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.925 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.62 -41.27 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.181 -0.95 . . . . 0.0 109.58 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.35 76.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -68.25 -44.86 74.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.633 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -64.63 -33.59 76.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.989 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -80.68 -57.12 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.137 . . . . 0.0 110.118 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -34.47 88.32 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.388 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.627 . . . . 0.0 110.334 -179.564 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' C' ' 8' ' ' LEU . 69.5 t80 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 120.764 0.316 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -46.13 -50.32 15.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.859 -1.151 . . . . 0.0 110.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -55.93 -23.02 14.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.66 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' C' ' 5' ' ' PHE . 3.4 tt -74.5 -44.92 49.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 108.732 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -59.5 -35.52 74.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.3 -0.875 . . . . 0.0 109.725 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.14 -55.35 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -0.975 . . . . 0.0 109.523 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -46.15 -45.93 16.94 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.048 -1.658 . . . . 0.0 110.959 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.64 -33.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.685 -1.26 . . . . 0.0 109.405 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.58 -40.06 84.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.438 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.82 -49.14 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.28 -24.82 67.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.12 -0.987 . . . . 0.0 109.087 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' C' ' 17' ' ' ALA . 10.1 p -65.18 -50.78 64.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 109.577 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . 0.591 ' H ' ' HG ' ' C' ' 16' ' ' SER . . . -69.5 -45.46 68.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.507 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.68 -39.78 89.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -64.51 -45.57 86.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -56.05 -49.98 72.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 0.0 110.016 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.68 -53.01 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.016 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.18 67.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.232 -0.918 . . . . 0.0 110.142 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -62.77 -44.4 96.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.793 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -65.29 -33.04 75.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.856 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 93.2 mt -76.04 -59.17 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.978 -1.076 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -35.61 92.32 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.101 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.25 -49.61 41.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.505 -1.586 . . . . 0.0 109.382 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.37 -35.81 80.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -60.41 -37.98 82.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.641 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -59.09 -45.91 89.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tp . . . . . 0 N--CA 1.497 1.877 0 O-C-N 121.224 -0.922 . . . . 0.0 109.21 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.503 2.223 0 CA-C-O 121.18 0.514 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.94 -28.35 9.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.044 -1.035 . . . . 0.0 110.206 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 17.5 tt -72.86 -20.95 19.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.239 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' D' ' 12' ' ' SER . 3.9 tt -79.63 -48.58 13.51 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -56.3 -38.87 71.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' D' ' 11' ' ' SER . 93.3 mt -65.81 -64.5 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.665 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' D' ' 10' ' ' ILE . 97.5 p -44.41 -36.97 3.12 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.119 -1.613 . . . . 0.0 110.986 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' D' ' 8' ' ' LEU . 7.2 m -62.67 -41.99 99.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.068 -1.02 . . . . 0.0 109.075 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -59.23 -38.23 79.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.0 109.081 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -63.1 -37.86 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.231 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.702 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 -58.88 5.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.202 -0.936 . . . . 0.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.92 94.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.086 -1.009 . . . . 0.0 109.716 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.68 -44.51 96.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 0.0 109.383 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -67.09 -37.23 83.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.873 . . . . 0.0 109.709 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -59.35 -52.22 66.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 109.934 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.2 -43.86 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.0 109.883 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.3 93.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.158 -0.964 . . . . 0.0 109.941 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -66.87 -44.99 79.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.935 . . . . 0.0 109.892 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 51.5 m -60.79 -34.08 73.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 0.0 110.223 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.408 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.5 mt -78.37 -60.72 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.842 -1.161 . . . . 0.0 110.114 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.71 -36.22 91.27 Favored Glycine 0 N--CA 1.503 3.124 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.038 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.99 -49.43 57.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.528 -1.572 . . . . 0.0 109.143 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.34 -37.42 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.0 109.082 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.4 m120 -58.51 -37.78 76.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.2 -46.04 92.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.402 HG23 HD13 ' D' ' 31' ' ' ILE . 15.7 pt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.189 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 120.805 0.335 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -46.11 -51.0 14.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.85 -1.156 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -59.46 -17.05 11.74 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.149 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.1 -55.05 4.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.079 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 p -56.3 -42.74 78.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 0.0 109.45 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' SER . 96.2 mt -62.74 -54.08 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 0.0 109.285 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -42.05 -51.03 4.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 120.118 -1.614 . . . . 0.0 110.925 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -57.53 -40.81 79.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -0.858 . . . . 0.0 109.487 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.56 -39.73 73.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.0 109.69 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.03 -47.27 91.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 0.0 109.645 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.78 -42.66 77.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.264 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m -47.97 -46.94 33.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.122 -0.986 . . . . 0.0 109.761 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -48.88 68.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.279 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.59 -55.3 11.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 109.17 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -57.87 -39.04 76.87 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -57.58 -45.48 85.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.172 -0.955 . . . . 0.0 109.569 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.95 -47.58 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.973 . . . . 0.0 109.618 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.96 74.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.0 109.747 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -69.36 -44.94 70.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.219 -0.925 . . . . 0.0 109.476 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.95 -33.16 74.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.962 . . . . 0.0 109.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -76.22 -61.25 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.983 -1.073 . . . . 0.0 110.034 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.0 90.71 Favored Glycine 0 N--CA 1.503 3.149 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.238 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.93 -47.83 49.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.486 -1.597 . . . . 0.0 109.269 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.84 -38.62 91.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.322 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.192 -0.943 . . . . 0.0 109.622 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 N--CA 1.482 0.797 0 N-CA-C 113.058 0.369 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -104.26 -61.46 1.44 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.106 -0.996 . . . . 0.0 111.014 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.87 -29.67 42.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.716 -1.24 . . . . 0.0 110.059 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 tt -70.15 -21.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.055 0 O-C-N 121.575 -0.703 . . . . 0.0 109.272 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.85 -47.8 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.6 p -57.31 -35.9 70.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.634 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.22 -63.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.127 -0.983 . . . . 0.0 109.71 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.79 -39.19 5.06 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 119.986 -1.696 . . . . 0.0 110.969 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -67.66 -42.15 82.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.145 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.16 -49.34 77.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.217 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.21 -35.46 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.264 -0.898 . . . . 0.0 109.34 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.61 -43.14 66.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.0 108.977 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -49.14 -52.89 23.52 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.169 -0.957 . . . . 0.0 109.809 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.23 88.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -47.32 44.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.969 . . . . 0.0 109.004 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -59.75 -42.18 92.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.251 -0.906 . . . . 0.0 109.72 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -59.85 -46.06 90.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.596 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.429 HD12 HG22 ' B' ' 21' ' ' ILE . 24.2 mm -69.83 -49.41 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 109.447 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.88 49.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.898 . . . . 0.0 109.757 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -76.21 -49.3 17.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.185 -0.947 . . . . 0.0 109.52 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.9 m -64.62 -31.62 72.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.42 HG22 HD13 ' B' ' 25' ' ' ILE . 96.5 mt -72.55 -58.89 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.53 77.82 Favored Glycine 0 N--CA 1.503 3.162 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.176 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 120.473 -1.604 . . . . 0.0 109.153 179.779 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.879 0.371 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -65.94 -39.21 90.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.542 -1.349 . . . . 0.0 110.019 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tp -60.05 -20.3 19.56 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.67 -43.4 18.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -57.18 -37.09 71.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 109.177 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.05 -64.21 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -47.66 -49.6 27.05 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.134 -1.604 . . . . 0.0 110.998 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.2 t -61.53 -43.66 98.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 109.687 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -51.93 -51.21 58.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.133 -0.979 . . . . 0.0 109.496 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . 0.404 HG22 HD13 ' C' ' 14' ' ' ILE . 71.1 mt -57.65 -37.33 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -41.13 75.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.155 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -52.36 -56.99 11.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.269 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.59 98.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.913 -1.117 . . . . 0.0 109.815 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.42 -39.41 60.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.205 -0.934 . . . . 0.0 109.346 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -69.93 -48.36 58.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.284 -0.885 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -63.01 -52.32 63.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.0 110.048 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' C' ' 22' ' ' ALA . 0.2 OUTLIER -60.32 -44.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.982 -1.074 . . . . 0.0 108.912 -179.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' C' ' 21' ' ' ILE . . . -63.97 -35.28 80.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -63.43 -43.93 96.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.499 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 85.5 m -65.09 -31.83 73.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.42 HG23 HD13 ' C' ' 25' ' ' ILE . 97.6 mt -76.7 -59.72 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.72 -35.55 92.06 Favored Glycine 0 N--CA 1.502 3.065 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.484 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.349 -1.677 . . . . 0.0 109.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.77 -36.4 78.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.312 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -57.91 -37.01 73.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.0 109.683 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.16 -41.88 68.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.226 -0.921 . . . . 0.0 109.471 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 122.18 0.991 . . . . 0.0 109.097 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' D' ' 8' ' ' LEU . 52.5 t80 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.165 0.507 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -49.57 -42.36 44.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 109.911 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.38 -20.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.3 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' D' ' 5' ' ' PHE . 5.0 tt -74.84 -51.85 12.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.929 . . . . 0.0 108.653 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 27.7 p -57.77 -37.57 73.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.338 -0.851 . . . . 0.0 110.163 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.14 -62.5 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.005 -1.059 . . . . 0.0 109.8 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -42.88 -47.06 5.54 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 119.931 -1.73 . . . . 0.0 110.962 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 21.3 p -61.41 -37.59 84.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.655 -1.278 . . . . 0.0 109.682 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.67 -42.46 92.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.587 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.44 -40.94 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 109.248 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.31 -44.66 71.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -48.62 -49.75 35.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.869 . . . . 0.0 110.061 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.92 81.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.095 -1.003 . . . . 0.0 109.738 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.89 -48.44 79.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.298 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.59 -36.83 85.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.24 -48.47 80.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.593 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.409 HD12 HG22 ' D' ' 21' ' ' ILE . 96.7 mt -77.03 -45.11 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 109.667 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.04 83.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.615 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.34 -43.46 90.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -60.69 -33.98 73.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.84 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.6 mt -78.89 -62.34 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 110.053 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.86 82.31 Favored Glycine 0 N--CA 1.503 3.126 0 C-N-CA 119.71 -1.233 . . . . 0.0 110.277 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -71.01 -52.47 19.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.47 -1.606 . . . . 0.0 109.322 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.21 -37.9 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.223 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 22.4 m120 -62.25 -38.75 90.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -57.66 -42.71 84.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 109.156 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 179.76 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.706 0.289 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.473 ' OE1' ' CG1' ' A' ' 10' ' ' ILE . 1.4 tm0? -45.99 -64.02 0.84 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 110.499 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -51.08 -21.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.12 -52.82 14.91 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.78 -1.2 . . . . 0.0 108.535 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -53.1 -37.81 62.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 109.115 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CG1' ' OE1' ' A' ' 6' ' ' GLN . 33.0 mm -58.22 -53.95 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.0 109.255 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.59 -47.0 10.31 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 120.377 -1.452 . . . . 0.0 110.999 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -61.13 -42.06 97.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.748 -1.22 . . . . 0.0 109.24 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.68 -50.53 70.79 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.376 -0.828 . . . . 0.0 109.454 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.428 HG22 HD13 ' A' ' 14' ' ' ILE . 85.7 mt -59.97 -38.71 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.333 -0.854 . . . . 0.0 109.648 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.47 -48.6 48.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -45.91 -46.24 15.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.75 70.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 109.45 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -54.19 -48.57 70.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.88 -33.41 74.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.351 -0.843 . . . . 0.0 109.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.02 -51.68 68.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.205 -0.934 . . . . 0.0 109.694 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -75.66 -44.96 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.761 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.78 85.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -64.79 -43.49 93.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.906 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.8 m -65.3 -34.21 77.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.843 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -79.8 -57.8 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.938 -1.101 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.73 -34.3 86.13 Favored Glycine 0 N--CA 1.503 3.134 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.246 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -76.57 -49.65 15.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.537 -1.566 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.6 -41.46 96.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.488 1.182 0 N-CA-C 114.009 0.734 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -105.77 -46.21 4.2 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.237 -0.914 . . . . 0.0 111.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.3 -22.26 29.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.863 -1.148 . . . . 0.0 110.135 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 tt -73.59 -20.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.327 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.68 -47.45 9.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.86 . . . . 0.0 108.794 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -54.8 -50.16 69.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.966 . . . . 0.0 109.287 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' B' ' 11' ' ' SER . 94.2 mt -68.18 -58.44 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.938 . . . . 0.0 109.55 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.2 m -40.63 -50.27 3.02 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 120.053 -1.654 . . . . 0.0 110.956 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -58.01 -41.06 82.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.197 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -54.25 -43.6 71.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -61.14 -44.79 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.469 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.8 -37.07 83.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.0 109.459 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.1 t -55.29 -56.16 23.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.0 109.714 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.35 64.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.101 -1.0 . . . . 0.0 109.498 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -46.13 25.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 109.156 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -63.94 -48.76 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -53.84 -49.93 67.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 23' ' ' TRP . 30.6 mm -68.46 -62.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.8 -21.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.42 -0.8 . . . . 0.0 110.438 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.466 ' N ' ' O ' ' B' ' 21' ' ' ILE . 40.4 t-105 -84.09 -48.03 10.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.043 -1.035 . . . . 0.0 109.779 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 59.6 m -65.72 -35.33 80.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.593 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' B' ' 25' ' ' ILE . 1.5 mp -80.41 -49.66 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.71 -1.244 . . . . 0.0 109.805 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.97 -29.66 74.93 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.791 -1.195 . . . . 0.0 110.455 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 120.443 -1.622 . . . . 0.0 109.302 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 120.935 0.398 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -48.28 -31.31 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.642 -1.287 . . . . 0.0 110.673 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -69.02 -25.05 29.04 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.026 0 O-C-N 121.314 -0.866 . . . . 0.0 109.306 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -75.06 -38.99 61.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -57.7 -44.52 85.92 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.563 -0.711 . . . . 0.0 109.616 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' C' ' 11' ' ' SER . 77.3 mt -63.71 -56.24 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.178 -0.951 . . . . 0.0 109.536 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' C' ' 10' ' ' ILE . 75.5 m -43.52 -47.22 7.24 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 119.987 -1.696 . . . . 0.0 110.988 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -40.71 87.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 109.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.84 -44.91 95.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.438 -0.789 . . . . 0.0 109.799 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.89 -42.26 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.877 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -70.08 -34.94 73.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.713 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' SER . . . . . 0.534 ' HG ' ' N ' ' C' ' 17' ' ' ALA . 10.4 p -61.55 -57.18 13.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 109.948 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . 0.534 ' N ' ' HG ' ' C' ' 16' ' ' SER . . . -64.42 -50.63 66.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.927 . . . . 0.0 109.439 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -48.43 -44.43 35.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.242 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.06 -34.74 71.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.23 -0.919 . . . . 0.0 109.464 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.27 -54.91 25.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.908 . . . . 0.0 109.934 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 16.4 tt -66.68 -35.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 109.893 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.58 91.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.07 -43.37 95.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.267 -0.896 . . . . 0.0 109.634 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -64.21 -35.34 80.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.271 -0.893 . . . . 0.0 110.055 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 88.1 mt -79.67 -57.07 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.785 -1.197 . . . . 0.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -35.25 85.88 Favored Glycine 0 N--CA 1.503 3.15 0 C-N-CA 119.611 -1.281 . . . . 0.0 109.975 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.74 -48.49 38.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.564 -1.55 . . . . 0.0 109.229 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.04 -36.69 80.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.112 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -57.06 -40.58 77.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.569 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.85 -50.39 72.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.212 -0.93 . . . . 0.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 109.099 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 t80 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 120.593 0.235 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -45.97 -52.1 12.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.801 -1.187 . . . . 0.0 110.424 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.27 -17.47 6.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 121.233 0.539 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -82.43 -55.26 4.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 0.0 109.221 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p -54.72 -45.22 74.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.394 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' D' ' 11' ' ' SER . 79.1 mt -61.42 -49.65 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.211 -0.931 . . . . 0.0 109.141 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.1 m -41.96 -55.17 3.23 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 120.132 -1.605 . . . . 0.0 110.988 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -54.41 -44.03 72.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.504 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.43 -46.64 76.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -0.875 . . . . 0.0 109.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.16 -41.79 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.77 -32.39 72.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.33 -0.856 . . . . 0.0 109.581 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' D' ' 17' ' ' ALA . 24.0 p -61.91 -57.11 13.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 109.855 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . 0.686 ' H ' ' HG ' ' D' ' 16' ' ' SER . . . -61.47 -49.04 78.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.122 -0.986 . . . . 0.0 109.514 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 tp -51.66 -47.14 63.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.892 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -72.36 -32.41 66.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -58.23 -48.83 79.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -76.39 -49.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.947 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.23 72.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.992 . . . . 0.0 109.734 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.42 -43.73 92.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.437 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.9 m -64.46 -34.25 77.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 0.0 109.927 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -58.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.884 -1.135 . . . . 0.0 109.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.3 87.43 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.722 -1.227 . . . . 0.0 110.286 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.48 -53.12 9.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.437 -1.625 . . . . 0.0 109.506 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.67 -44.34 96.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.0 109.428 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -54.71 -39.04 67.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 109.391 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.86 -46.8 84.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.0 109.272 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.343 -0.848 . . . . 0.0 109.287 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 N--CA 1.499 2.007 0 CA-C-O 120.691 0.281 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.411 ' OE1' ' OG ' ' A' ' 9' ' ' SER . 5.5 tp-100 -46.82 -62.73 1.26 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.871 -1.143 . . . . 0.0 110.015 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 tt -47.77 -21.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.057 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.84 -54.89 7.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.897 -1.127 . . . . 0.0 108.289 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 6' ' ' GLN . 88.1 p -51.14 -34.56 31.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.349 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.42 -59.83 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.164 -0.96 . . . . 0.0 109.444 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -44.52 -34.58 2.15 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.219 -1.551 . . . . 0.0 110.975 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -68.74 -42.65 77.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.585 -1.322 . . . . 0.0 109.685 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -63.39 -52.63 60.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.302 -0.874 . . . . 0.0 109.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.3 -39.07 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.477 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.79 -45.95 59.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.445 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.7 p -48.78 -48.0 41.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.274 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.69 52.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.973 -1.079 . . . . 0.0 109.779 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.76 -43.5 69.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.928 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -69.53 -32.68 71.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.39 -51.09 67.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 0.0 109.5 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.18 -49.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.823 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.47 67.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.17 -0.956 . . . . 0.0 109.69 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.72 -42.5 70.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -63.87 -35.65 81.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.07 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.5 mt -81.18 -56.93 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.75 -1.219 . . . . 0.0 109.986 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.1 78.52 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.592 -1.289 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -77.21 -54.74 6.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.523 -1.575 . . . . 0.0 109.228 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.52 -49.47 77.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -0.873 . . . . 0.0 109.126 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.486 1.072 0 CA-C-O 121.189 0.412 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 8' ' ' LEU . 79.1 t80 -93.02 -58.59 2.28 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.628 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . 0.469 ' OE1' ' CD1' ' B' ' 10' ' ' ILE . 1.4 tm0? -49.8 -42.0 45.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 109.957 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.4 tt -61.59 -21.2 24.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 5' ' ' PHE . 2.8 tt -76.04 -43.16 45.28 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -56.67 -52.81 63.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.316 -0.865 . . . . 0.0 109.67 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.469 ' CD1' ' OE1' ' B' ' 6' ' ' GLN . 96.7 mt -56.7 -55.16 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.082 -1.011 . . . . 0.0 109.478 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.3 m -41.16 -45.87 2.91 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 120.086 -1.634 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -60.92 -44.47 97.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -54.59 -43.46 72.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.46 -47.74 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.274 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.51 -33.09 74.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -58.72 -56.67 19.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.0 109.727 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.19 72.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.129 -0.982 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.88 -51.29 30.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.034 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' C ' ' B' ' 19' ' ' HIS . 10.5 t-80 -64.95 -40.75 95.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -0.924 . . . . 0.0 109.761 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.24 -49.74 76.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.102 -0.999 . . . . 0.0 109.667 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -71.44 -44.49 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.06 -1.025 . . . . 0.0 109.393 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.32 86.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.202 -0.936 . . . . 0.0 109.61 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -67.21 -44.37 79.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.206 -0.934 . . . . 0.0 109.189 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 40.0 m -63.09 -34.29 77.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.579 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.06 -61.3 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.08 -36.55 74.91 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.546 -1.561 . . . . 0.0 109.048 179.602 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.502 2.156 0 CA-C-O 120.67 0.271 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -52.94 -28.47 23.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.625 -1.297 . . . . 0.0 109.592 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -71.61 -19.42 20.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.92 -49.49 10.25 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t -55.68 -41.64 74.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.85 . . . . 0.0 109.128 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' C' ' 11' ' ' SER . 84.9 mt -71.58 -52.87 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.322 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.9 m -43.37 -50.2 6.84 Favored 'General case' 0 C--O 1.205 -1.279 0 O-C-N 120.1 -1.625 . . . . 0.0 111.006 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -59.69 -44.74 93.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.657 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.35 -52.81 42.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.907 . . . . 0.0 109.516 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.5 mt -53.83 -45.03 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.541 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.88 -39.02 90.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -51.21 -47.69 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.006 . . . . 0.0 109.74 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.35 78.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.108 -0.995 . . . . 0.0 109.402 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.3 -42.36 77.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.245 -0.91 . . . . 0.0 109.037 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.66 -45.67 93.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.641 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -56.81 -55.42 34.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.43 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.0 -59.73 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.26 -0.9 . . . . 0.0 109.245 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.93 -28.46 1.13 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.972 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -71.93 -44.11 64.16 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.158 -0.964 . . . . 0.0 109.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -63.42 -36.02 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 110.063 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.8 mp -79.64 -57.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.831 -1.168 . . . . 0.0 109.401 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.51 71.81 Favored Glycine 0 N--CA 1.503 3.163 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.195 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.37 -49.45 16.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.528 -1.572 . . . . 0.0 109.531 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.5 -38.94 93.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.47 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . 0.532 ' ND2' ' NE2' ' D' ' 30' ' ' GLN . 51.7 t-20 -50.45 -38.84 45.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -55.32 -48.73 73.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 122.231 1.015 . . . . 0.0 108.486 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -50.48 -56.1 13.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.068 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.8 -34.26 30.39 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.779 -1.2 . . . . 0.0 109.512 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -63.26 -46.37 87.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.463 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.92 -49.79 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.053 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -44.55 -49.01 10.29 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 119.74 -1.85 . . . . 0.0 110.986 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -65.69 -42.51 91.13 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.791 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -53.12 -49.6 66.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 110.193 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 29.7 pt -66.23 -31.82 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.93 -1.106 . . . . 0.0 109.64 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.56 -35.83 65.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -62.34 -60.54 3.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.275 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.54 76.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.563 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 39.1 tp -57.18 -35.32 69.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.176 -0.953 . . . . 0.0 109.216 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -77.89 -35.92 50.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.19 -0.944 . . . . 0.0 109.595 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.99 -46.15 75.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' D' ' 22' ' ' ALA . 21.1 tt -71.42 -39.79 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.965 . . . . 0.0 109.893 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' D' ' 21' ' ' ILE . . . -68.42 -41.82 79.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.182 -0.948 . . . . 0.0 109.803 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -62.78 -45.26 93.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.129 -0.982 . . . . 0.0 109.682 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -63.75 -33.38 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 110.079 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.9 mt -81.35 -57.59 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.925 -1.109 . . . . 0.0 109.995 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.05 -35.7 91.16 Favored Glycine 0 N--CA 1.504 3.232 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.371 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -71.3 -47.53 56.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.436 -1.626 . . . . 0.0 109.072 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -39.17 87.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.247 -0.908 . . . . 0.0 108.853 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.8 m120 -57.98 -38.86 76.86 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.319 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . 0.532 ' NE2' ' ND2' ' C' ' 29' ' ' ASN . 54.5 tt0 -59.93 -42.77 94.68 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.223 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt . . . . . 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' LEU . 47.9 tt0 -45.99 -65.06 0.6 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.86 -1.15 . . . . 0.0 110.086 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tp -44.98 -22.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.0 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.5 tt -74.75 -41.71 59.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.942 -1.099 . . . . 0.0 108.403 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.0 p -62.45 -39.02 92.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.5 mp -62.29 -59.31 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -43.72 -42.19 5.27 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 120.143 -1.598 . . . . 0.0 111.009 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -70.7 -45.16 65.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.679 -1.263 . . . . 0.0 109.393 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.67 -46.2 89.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.617 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.74 -41.04 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.234 -0.916 . . . . 0.0 109.622 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.68 -39.9 66.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 m -53.59 -45.99 70.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.063 -1.023 . . . . 0.0 109.956 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -49.02 50.17 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 109.596 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.68 -38.2 69.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.48 -40.33 92.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.934 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.44 -52.52 64.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.112 -0.993 . . . . 0.0 109.823 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.08 -39.18 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.96 85.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 109.76 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -66.87 -44.74 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 m -65.11 -33.99 77.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.97 -57.74 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.948 -1.095 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.67 -34.33 89.3 Favored Glycine 0 N--CA 1.503 3.148 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.247 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.48 -49.61 31.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.472 -1.605 . . . . 0.0 109.354 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.31 -35.49 62.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.223 -0.923 . . . . 0.0 109.376 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.482 0.833 0 CA-C-O 121.08 0.367 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -99.13 -40.82 7.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.777 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -46.32 -67.18 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.596 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.1 tt -58.45 -19.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.236 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -54.68 9.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 108.925 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -59.51 -31.34 69.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.32 -59.89 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -44.85 -49.3 10.94 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 120.42 -1.425 . . . . 0.0 110.965 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -64.32 -40.94 96.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.868 -1.145 . . . . 0.0 109.478 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.91 -43.83 91.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.656 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.416 HD12 HG23 ' B' ' 14' ' ' ILE . 94.2 mt -60.05 -52.13 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.454 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.82 -44.65 96.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.064 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -45.99 -57.12 4.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.79 93.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.175 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -53.97 21.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.03 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -36.94 76.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.72 -48.75 79.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 109.565 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.75 -43.77 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.18 98.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.712 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -63.28 -45.48 91.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 0.0 109.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -63.15 -33.94 76.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -0.931 . . . . 0.0 109.842 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.23 -58.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.92 -1.113 . . . . 0.0 110.057 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.54 76.94 Favored Glycine 0 N--CA 1.503 3.121 0 C-N-CA 119.88 -1.153 . . . . 0.0 110.504 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 120.405 -1.644 . . . . 0.0 109.512 -179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 77.5 t80 . . . . . 0 N--CA 1.499 1.985 0 CA-C-O 121.239 0.543 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . 0.557 ' NE2' ' H ' ' C' ' 7' ' ' ILE . 1.5 pm0 -52.07 -26.81 11.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.912 -1.118 . . . . 0.0 109.836 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.557 ' H ' ' NE2' ' C' ' 6' ' ' GLN . 8.2 tp -72.04 -23.36 21.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -74.0 -43.25 58.69 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -69.54 -52.05 29.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.429 -0.794 . . . . 0.0 109.453 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.5 mt -53.62 -39.74 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -67.71 -44.73 76.99 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 119.969 -1.707 . . . . 0.0 111.008 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -62.45 -24.32 67.37 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.364 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -76.96 -63.78 1.28 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.766 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.88 -32.81 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 0.0 109.685 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.56 -38.64 59.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -0.92 . . . . 0.0 109.505 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -55.69 -54.63 41.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 0.0 109.954 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.95 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.113 -0.992 . . . . 0.0 109.619 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 tp -48.26 -46.22 35.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.0 109.665 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.63 -33.96 76.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.0 110.163 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.58 -48.95 79.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 pt -72.49 -31.49 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.108 -0.995 . . . . 0.0 110.143 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . 0.425 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -73.05 -25.07 60.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.034 -1.041 . . . . 0.0 109.603 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -77.42 -47.97 18.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.295 -0.878 . . . . 0.0 109.697 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -67.41 -33.28 74.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.854 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.41 -54.58 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.894 -1.129 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.44 86.49 Favored Glycine 0 N--CA 1.502 3.046 0 C-N-CA 119.605 -1.283 . . . . 0.0 109.933 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -76.12 -48.79 19.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.582 -1.54 . . . . 0.0 109.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.77 -41.99 91.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.17 -37.67 75.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.55 -50.43 73.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 109.533 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.23 -0.919 . . . . 0.0 109.241 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.501 2.075 0 CA-C-O 120.657 0.265 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -54.74 -27.74 43.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.648 -1.282 . . . . 0.0 110.297 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -71.98 -20.54 20.38 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -80.97 -51.9 8.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.2 t -57.23 -53.03 62.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.312 -0.868 . . . . 0.0 109.687 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.46 -53.94 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.97 . . . . 0.0 109.672 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.32 -43.83 11.08 Favored 'General case' 0 C--O 1.208 -1.097 0 O-C-N 119.877 -1.765 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -62.68 -46.79 86.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.45 -0.782 . . . . 0.0 109.839 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.73 -48.17 80.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 109.535 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.26 -45.05 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 0.0 109.736 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -41.89 83.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.201 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -47.79 -49.86 27.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.973 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.67 -52.32 52.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.74 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.89 -49.75 62.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.897 . . . . 0.0 109.517 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -63.33 -38.25 90.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 0.0 109.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.91 -50.58 72.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.63 -40.55 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.205 -0.934 . . . . 0.0 109.968 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.4 70.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.0 109.997 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . 0.425 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 45.6 t-105 -78.76 -44.72 22.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.572 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -63.01 -33.74 76.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.85 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.17 -60.85 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.889 -1.132 . . . . 0.0 110.017 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -34.22 87.06 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.737 -1.221 . . . . 0.0 110.165 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.23 -50.02 30.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.483 -1.598 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.03 -44.13 93.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -54.07 -41.6 68.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -56.21 -44.99 80.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.212 -0.93 . . . . 0.0 109.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.207 -0.933 . . . . 0.0 109.574 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.5 t80 . . . . . 0 N--CA 1.502 2.136 0 CA-C-O 120.861 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.61 -22.15 43.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.742 -1.224 . . . . 0.0 110.206 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.28 -20.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 O-C-N 121.505 -0.747 . . . . 0.0 109.396 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.53 -48.53 9.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 108.7 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -49.08 71.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' SER . 62.5 mt -72.76 -55.14 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.711 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' ILE . 71.0 m -43.08 -49.85 6.18 Favored 'General case' 0 C--O 1.207 -1.174 0 O-C-N 119.938 -1.726 . . . . 0.0 110.995 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -63.58 -43.21 97.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.397 -0.814 . . . . 0.0 109.839 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -58.04 -48.28 80.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.803 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.44 -42.04 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.452 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.52 -38.19 71.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 109.091 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 m -51.2 -42.94 61.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.178 -0.951 . . . . 0.0 109.777 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.67 59.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.119 -0.988 . . . . 0.0 109.579 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.6 -42.2 78.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.507 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -67.83 -36.47 80.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 109.792 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.47 -48.82 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.787 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.07 -41.16 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 109.807 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.94 79.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.685 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -74.04 -43.93 56.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -64.36 -36.6 84.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 110.128 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.99 -55.74 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.774 -1.204 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.42 86.55 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -72.73 -45.45 58.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.563 -1.551 . . . . 0.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.82 -31.98 65.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.395 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 109.618 -179.889 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 N--CA 1.485 1.014 0 CA-C-O 121.28 0.45 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -83.2 -44.51 14.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.202 -0.936 . . . . 0.0 110.97 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -45.44 -63.98 0.83 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.963 -1.085 . . . . 0.0 110.249 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -46.99 -22.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.044 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.71 -43.42 55.18 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.013 -1.055 . . . . 0.0 108.577 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -60.34 -41.5 93.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.314 -0.866 . . . . 0.0 109.689 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' B' ' 11' ' ' SER . 1.9 mp -61.0 -59.58 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.083 -1.01 . . . . 0.0 109.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.6 m -43.64 -39.79 3.77 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.045 -1.659 . . . . 0.0 110.977 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -60.54 -42.75 97.16 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.815 -1.178 . . . . 0.0 109.14 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -62.57 -38.02 88.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 109.751 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.31 -46.99 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.22 -30.91 71.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 0.0 109.633 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 54.9 m -60.29 -53.42 57.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.975 . . . . 0.0 109.9 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -50.48 62.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 109.573 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -51.18 -42.27 60.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.0 109.446 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -70.77 -35.96 72.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.562 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -66.58 -56.71 9.5 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.593 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -61.51 -35.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.401 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.56 -44.15 68.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.777 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -64.43 -44.7 90.36 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.199 -0.938 . . . . 0.0 109.527 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.1 m -61.07 -32.92 72.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.128 -0.983 . . . . 0.0 109.902 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.84 -59.47 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.886 -1.134 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.12 -34.28 72.6 Favored Glycine 0 N--CA 1.504 3.2 0 C-N-CA 119.859 -1.162 . . . . 0.0 110.71 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' B' ' 27' ' ' HIS . 8.0 t-80 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 120.401 -1.647 . . . . 0.0 109.658 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 35.4 t80 . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . 0.483 ' OE1' ' CG1' ' C' ' 10' ' ' ILE . 1.4 tm0? -44.77 -62.45 1.21 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.0 -1.063 . . . . 0.0 110.612 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.43 -21.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.298 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.43 -47.5 60.44 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.802 -1.186 . . . . 0.0 108.684 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.34 -31.01 72.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.102 -0.999 . . . . 0.0 109.803 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.483 ' CG1' ' OE1' ' C' ' 6' ' ' GLN . 35.5 mm -63.73 -59.55 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.065 -1.022 . . . . 0.0 110.101 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -49.83 -43.92 49.08 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 120.192 -1.568 . . . . 0.0 110.981 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -65.0 -40.46 94.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.531 -1.356 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . 0.401 ' O ' ' OG ' ' C' ' 16' ' ' SER . 87.7 t80 -65.77 -46.47 78.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.515 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . 0.403 HD13 HG23 ' C' ' 14' ' ' ILE . 96.0 mt -58.48 -42.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 109.612 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -41.72 75.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 109.433 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' C' ' 13' ' ' PHE . 82.5 p -49.82 -50.56 44.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.0 109.781 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.72 75.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.0 109.395 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.46 -46.75 70.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.915 . . . . 0.0 108.998 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -61.96 -35.43 78.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.411 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.68 -50.33 71.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.0 109.725 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.06 -45.88 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 109.922 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.77 73.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 0.0 109.706 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -66.66 -46.29 76.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.183 -0.948 . . . . 0.0 109.535 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -60.94 -32.88 72.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.985 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.65 -64.77 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -35.86 88.65 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.644 -1.265 . . . . 0.0 110.17 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.07 -49.64 49.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.465 -1.609 . . . . 0.0 109.355 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.12 -35.13 80.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.335 -0.853 . . . . 0.0 109.488 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -56.7 -35.57 68.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 0.0 109.664 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.25 -51.08 70.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 0.0 109.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 tt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.156 -0.965 . . . . 0.0 109.04 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -48.69 -53.27 19.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -57.73 -20.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.104 0 CA-C-O 121.264 0.554 . . . . 0.0 109.841 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.49 -48.57 48.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -42.07 84.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.396 -0.815 . . . . 0.0 109.42 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' D' ' 11' ' ' SER . 28.0 mm -54.32 -59.6 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.072 -1.018 . . . . 0.0 109.137 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.412 ' C ' ' O ' ' D' ' 10' ' ' ILE . 70.7 m -43.95 -48.05 8.57 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 120.13 -1.606 . . . . 0.0 110.973 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -60.45 -40.59 91.68 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.584 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.634 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.07 -39.4 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.487 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.15 -43.44 64.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -50.39 -47.78 56.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 110.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.07 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.954 . . . . 0.0 109.767 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.54 -49.48 75.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 109.405 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.46 -36.6 82.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.182 -0.949 . . . . 0.0 109.718 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.16 -50.99 71.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.946 . . . . 0.0 109.773 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -74.49 -37.62 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.203 -0.936 . . . . 0.0 109.807 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.55 73.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -71.55 -46.63 58.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.714 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -62.33 -32.35 73.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.795 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.06 -61.51 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.968 -1.083 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.86 88.37 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.617 -1.277 . . . . 0.0 109.976 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -72.17 -57.3 4.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.501 -1.588 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.28 -44.4 75.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.287 -0.883 . . . . 0.0 108.959 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -57.3 -40.26 77.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.342 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.33 -44.74 88.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.56 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 59.7 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.9 tt 84.37 -60.85 0.1 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.897 -0.502 . . . . 0.0 110.337 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.4 mt-10 -74.46 -43.55 5.52 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 76.7 Cg_endo -101.3 -9.22 0.26 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 123.205 2.603 . . . . 0.0 112.734 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -110.76 -62.91 1.46 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.344 -0.847 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -52.87 -26.03 13.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.79 -1.194 . . . . 0.0 110.061 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.68 -19.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 O-C-N 121.615 -0.678 . . . . 0.0 109.502 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tt -83.41 -48.89 9.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -57.38 -51.46 69.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.0 109.752 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 86.2 mt -64.04 -55.83 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.71 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.2 m -42.95 -50.6 5.82 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 119.932 -1.73 . . . . 0.0 110.96 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -59.33 -41.23 88.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 0.0 109.601 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -55.37 -46.49 76.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.4 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -58.07 -40.75 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -68.93 -41.59 77.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.299 -0.876 . . . . 0.0 109.355 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 m -50.46 -52.5 37.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.066 -1.021 . . . . 0.0 109.913 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.89 79.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -54.18 38.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.174 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -65.12 -37.12 86.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.736 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.21 -50.66 61.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.193 -0.942 . . . . 0.0 109.64 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.98 -45.57 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.633 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -22.4 46.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.0 109.562 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -80.37 -47.08 14.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.0 109.35 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -62.26 -33.59 74.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.9 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.71 -60.7 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.939 -1.101 . . . . 0.0 109.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.98 -34.39 83.1 Favored Glycine 0 N--CA 1.502 3.085 0 C-N-CA 119.609 -1.281 . . . . 0.0 109.905 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -74.49 -52.25 12.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.575 -1.544 . . . . 0.0 109.395 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.265 -0.897 . . . . 0.0 109.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.572 ' ND2' HE21 ' B' ' 30' ' ' GLN . 60.6 t-20 -54.53 -39.77 67.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.297 -0.877 . . . . 0.0 109.446 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -54.46 -51.2 65.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.4 tt -91.34 58.74 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.232 -0.917 . . . . 0.0 109.167 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -165.19 -65.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.88 -1.137 . . . . 0.0 109.223 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.524 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.37 -139.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -166.38 -62.88 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.04 -1.662 . . . . 0.0 109.928 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.07 -64.26 0.08 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.885 1.724 . . . . 0.0 111.919 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CD1' ' O ' ' B' ' 5' ' ' PHE . 37.2 t80 -76.25 -15.31 60.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.479 -0.763 . . . . 0.0 109.786 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -69.81 0.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.077 0.941 . . . . 0.0 110.031 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.77 -22.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.14 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.847 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.07 -49.27 46.46 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.79 -1.194 . . . . 0.0 108.69 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' B' ' 12' ' ' SER . 6.4 p -60.15 -38.86 84.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 109.374 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 11' ' ' SER . 19.5 mm -60.52 -58.59 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.428 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.421 ' C ' ' O ' ' B' ' 10' ' ' ILE . 71.1 m -43.17 -48.03 6.35 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 119.976 -1.702 . . . . 0.0 110.997 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 9' ' ' SER . 66.8 p -57.68 -35.53 70.73 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.616 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . 0.42 ' O ' ' OG ' ' B' ' 16' ' ' SER . 67.4 t80 -61.87 -43.96 97.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.177 -0.952 . . . . 0.0 109.315 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -57.68 -46.84 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.342 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.89 -38.63 91.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 109.757 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 13' ' ' PHE . 57.0 p -52.63 -47.16 67.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.115 -0.991 . . . . 0.0 109.599 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.11 -38.02 44.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.142 -0.974 . . . . 0.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -38.17 75.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 109.063 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -73.68 -48.79 29.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.117 -0.989 . . . . 0.0 109.851 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.28 -46.68 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.919 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -67.76 -45.35 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.294 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.456 ' N ' ' CG2' ' B' ' 21' ' ' ILE . . . -63.16 -37.31 86.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.075 . . . . 0.0 109.488 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -60.88 -44.93 96.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.201 -0.937 . . . . 0.0 109.412 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 33.8 m -62.49 -33.84 75.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 109.874 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -82.56 -58.3 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.986 -1.071 . . . . 0.0 110.382 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.37 82.52 Favored Glycine 0 N--CA 1.504 3.218 0 C-N-CA 119.852 -1.166 . . . . 0.0 110.808 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -54.97 -38.7 68.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.328 -1.69 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.81 -36.24 64.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.387 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.616 ' N ' HD21 ' B' ' 29' ' ' ASN . 1.3 m120 -53.68 -37.48 63.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.244 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.572 HE21 ' ND2' ' A' ' 29' ' ' ASN . 62.5 tt0 -62.76 -49.29 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 109.16 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 pt -90.86 55.62 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -157.47 -64.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.358 -0.839 . . . . 0.0 109.458 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.424 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mtt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 tp -94.14 -136.44 0.2 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.239 -0.913 . . . . 0.0 108.851 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.584 ' C ' ' H ' ' C' ' 5' ' ' PHE . 1.8 mm-40 -78.94 -172.58 0.34 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 120.169 -1.582 . . . . 0.0 107.333 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 71.8 Cg_exo -52.07 4.0 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.744 1.63 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.584 ' H ' ' C ' ' C' ' 3' ' ' GLU . 62.4 t80 -96.41 -64.1 1.08 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.139 -0.976 . . . . 0.0 110.747 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.7 -32.18 69.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.498 -1.376 . . . . 0.0 110.431 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -68.76 -18.07 22.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.922 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -83.53 -47.04 11.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 108.917 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.89 -42.79 76.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.66 -56.85 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.137 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -44.7 -52.88 7.87 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 111.0 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -61.73 -40.31 94.64 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.681 -0.807 . . . . 0.0 109.36 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -57.94 -48.69 79.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.17 -36.06 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 0.0 109.234 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.77 -45.28 62.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -0.884 . . . . 0.0 109.189 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 62.4 m -46.95 -48.13 21.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.048 -1.032 . . . . 0.0 110.02 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -48.05 68.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.063 -1.023 . . . . 0.0 109.794 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.24 -49.71 63.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -64.03 -39.27 93.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.236 -0.915 . . . . 0.0 110.021 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.93 -51.86 67.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 109.787 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.401 HD11 HG23 ' C' ' 21' ' ' ILE . 96.6 mt -63.57 -60.45 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . 0.404 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -45.63 -28.03 0.9 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 110.15 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -73.62 -44.16 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -65.33 -35.89 82.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 110.519 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.9 mp -81.57 -52.96 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.713 -1.242 . . . . 0.0 109.46 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.35 90.83 Favored Glycine 0 N--CA 1.503 3.166 0 C-N-CA 119.595 -1.288 . . . . 0.0 109.978 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -71.24 -43.56 67.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.568 -1.548 . . . . 0.0 109.195 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.92 -36.05 76.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.36 -0.837 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.63 -32.15 68.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.452 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -63.23 -50.13 71.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.0 109.637 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.8 tt -85.22 49.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.147 -0.971 . . . . 0.0 108.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -104.1 -45.11 4.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.365 -0.834 . . . . 0.0 109.103 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.537 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' D' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -74.34 -138.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.108 -0.995 . . . . 0.0 108.577 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.455 ' CB ' ' CD ' ' D' ' 4' ' ' PRO . 8.5 mt-10 -148.94 -67.22 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.201 -1.562 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 49.8 Cg_endo -66.36 -24.13 50.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.031 1.821 . . . . 0.0 111.79 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -100.71 -38.09 8.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -60.23 -25.38 65.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.842 . . . . 0.0 109.589 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 5.9 tp -74.03 -19.4 17.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 tt -79.89 -48.48 13.39 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.409 ' O ' ' OG ' ' D' ' 12' ' ' SER . 12.1 p -58.74 -49.43 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.591 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.91 -52.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -48.78 -40.83 30.37 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 119.913 -1.742 . . . . 0.0 110.984 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' D' ' 9' ' ' SER . 98.6 p -67.08 -32.62 73.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.47 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -63.24 -43.57 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.92 -39.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 0.0 109.452 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tt -73.21 -42.12 63.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.305 -0.872 . . . . 0.0 109.745 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 29.0 t -54.85 -46.74 74.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.03 63.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.047 -1.033 . . . . 0.0 109.646 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.84 -46.16 64.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.174 -0.954 . . . . 0.0 109.084 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -67.26 -37.45 83.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.9 . . . . 0.0 109.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.65 -52.54 65.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.806 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.88 -40.26 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 109.66 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.46 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.085 -1.009 . . . . 0.0 109.51 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . 0.404 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 47.1 t-105 -69.68 -43.67 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 27.0 m -63.19 -31.9 73.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.83 -60.38 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.0 110.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.66 93.03 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.214 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.81 -50.68 55.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.47 -1.606 . . . . 0.0 109.073 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.28 -47.0 79.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.359 -0.838 . . . . 0.0 109.313 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.86 -33.76 72.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.461 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.25 -40.33 81.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -90.79 51.79 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.256 -0.902 . . . . 0.0 109.494 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -162.81 -56.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.482 -0.761 . . . . 0.0 109.323 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.414 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 61.4 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.9 tt 86.06 -60.62 0.06 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 122.047 -0.408 . . . . 0.0 110.121 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.8 mt-10 -69.95 -49.82 18.54 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.563 -1.336 . . . . 0.0 109.127 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 36.3 Cg_endo -93.69 -27.28 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.807 2.338 . . . . 0.0 112.187 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 17.1 t80 -83.44 -49.82 8.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.261 -0.9 . . . . 0.0 110.527 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.8 tp-100 -45.92 -63.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.895 -1.128 . . . . 0.0 110.072 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -45.31 -20.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.004 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' GLN . 3.3 tt -75.76 -49.15 19.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.024 -1.048 . . . . 0.0 108.302 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -57.57 -36.21 71.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.0 109.224 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' SER . 20.2 mm -61.37 -56.84 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.269 -0.894 . . . . 0.0 109.23 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -43.03 -49.69 6.07 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.03 -1.669 . . . . 0.0 110.974 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -56.57 -36.7 69.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.402 -0.811 . . . . 0.0 109.463 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.41 -37.08 85.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.888 . . . . 0.0 109.658 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.57 -42.91 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -69.93 -35.54 74.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.91 . . . . 0.0 110.066 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -61.18 -48.38 81.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 109.991 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.27 40.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.008 . . . . 0.0 109.528 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.04 -43.69 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 108.961 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -64.44 -37.93 89.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.346 -0.846 . . . . 0.0 109.407 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.72 -52.93 63.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -0.853 . . . . 0.0 109.832 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.95 -44.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.768 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.14 82.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.934 . . . . 0.0 109.566 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -63.36 -43.53 97.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.194 -0.941 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.0 m -64.35 -33.02 74.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 0.0 109.963 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.95 -59.33 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.928 -1.108 . . . . 0.0 109.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.59 -35.51 91.92 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.75 -1.215 . . . . 0.0 110.279 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -71.32 -50.05 36.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.473 -1.604 . . . . 0.0 109.424 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.74 -35.97 73.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.0 109.453 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.16 -36.36 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.155 -0.966 . . . . 0.0 109.519 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -58.39 -46.48 86.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.22 -0.925 . . . . 0.0 109.505 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 tt -92.67 56.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.211 -0.93 . . . . 0.0 108.965 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -159.76 -70.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.995 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.485 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.557 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.4 tt 84.33 -62.92 0.08 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.921 -0.487 . . . . 0.0 110.397 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 0.4 OUTLIER -66.6 -51.4 41.05 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 120.45 -1.406 . . . . 0.0 109.275 -179.419 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 35.9 Cg_endo -91.56 -26.01 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -87.14 -47.83 8.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.882 . . . . 0.0 111.138 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -46.14 -52.84 11.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.824 -1.172 . . . . 0.0 110.521 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -55.83 -20.25 8.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 CA-C-O 121.201 0.524 . . . . 0.0 109.904 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.76 -50.04 13.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.989 . . . . 0.0 109.009 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -55.29 -37.2 67.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.745 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.75 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.065 -1.022 . . . . 0.0 109.649 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -46.46 -37.84 8.32 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 119.961 -1.712 . . . . 0.0 110.977 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 27.8 p -69.42 -29.78 67.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.621 -1.3 . . . . 0.0 109.933 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -72.26 -56.57 5.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.06 -34.39 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.075 -1.016 . . . . 0.0 109.868 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -38.44 59.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.16 -0.962 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -56.59 -49.64 74.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 110.064 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.51 37.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -50.62 -43.0 56.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -64.53 -36.09 83.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.92 -51.07 68.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.08 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 pt -76.28 -29.25 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 110.051 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 -25.4 62.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.003 . . . . 0.0 109.647 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -84.44 -48.08 10.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.926 . . . . 0.0 109.605 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 44.1 m -67.65 -34.47 77.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.171 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.87 -50.15 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.977 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.26 76.4 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.11 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -56.35 -39.87 73.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.553 -1.557 . . . . 0.0 109.375 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.73 -37.81 66.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.407 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.579 ' N ' HD21 ' B' ' 29' ' ' ASN . 1.7 m120 -50.23 -47.93 54.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.935 . . . . 0.0 109.248 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -56.08 -33.84 65.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.183 -0.948 . . . . 0.0 108.5 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.45 49.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.469 -0.77 . . . . 0.0 109.033 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -165.61 -67.67 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.483 -0.761 . . . . 0.0 109.46 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.495 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.586 ' H2 ' ' NE2' ' C' ' 6' ' ' GLN . 33.8 mtm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.332 0.587 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.401 ' H ' ' HB3' ' C' ' 6' ' ' GLN . 62.8 tp -50.67 -82.22 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.486 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.2 mm-40 176.45 -50.5 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 120.222 -1.549 . . . . 0.0 110.735 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 66.7 Cg_endo -88.32 -59.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.574 2.183 . . . . 0.0 114.077 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.412 ' H ' ' HG2' ' C' ' 4' ' ' PRO . 23.2 t80 -106.6 -40.98 5.39 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.266 -0.896 . . . . 0.0 111.45 -177.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . 0.586 ' NE2' ' H2 ' ' C' ' 1' ' ' MET . 35.2 tt0 -57.83 -68.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.493 -1.379 . . . . 0.0 110.677 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 tt -46.59 -22.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 121.804 -0.56 . . . . 0.0 110.149 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.71 -39.57 66.87 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.963 -1.086 . . . . 0.0 108.337 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -63.16 -40.93 98.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.463 -0.773 . . . . 0.0 109.171 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' C' ' 10' ' ' ILE . 1.7 mp -62.75 -67.55 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 109.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -43.42 -47.02 6.9 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.152 -1.592 . . . . 0.0 110.968 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -64.12 -39.79 94.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.723 -1.235 . . . . 0.0 108.983 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -65.42 -51.58 59.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.408 -0.808 . . . . 0.0 109.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . 0.406 HG22 HD13 ' C' ' 14' ' ' ILE . 84.6 mt -59.44 -33.44 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.315 -0.866 . . . . 0.0 109.475 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 tp -76.13 -35.81 59.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 109.885 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -60.05 -51.05 71.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 109.934 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.26 52.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 0.0 109.505 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.03 -40.74 70.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -64.5 -45.19 88.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.042 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -54.3 -53.57 51.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.139 -0.976 . . . . 0.0 109.925 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.408 HD11 HG23 ' C' ' 21' ' ' ILE . 97.2 mt -69.59 -52.03 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.871 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.95 -47.43 52.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.945 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -64.02 -43.75 94.66 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.577 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -59.92 -32.36 70.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.782 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.67 -64.0 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.961 -1.087 . . . . 0.0 110.219 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -38.39 68.89 Favored Glycine 0 N--CA 1.504 3.201 0 C-N-CA 119.677 -1.249 . . . . 0.0 110.074 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.9 -51.48 47.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.491 -1.593 . . . . 0.0 109.18 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.16 -35.86 80.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.207 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.5 -38.23 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 109.216 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -55.71 -48.76 74.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tp -93.02 58.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.278 -0.889 . . . . 0.0 109.017 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -159.82 -70.98 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.885 -1.134 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.526 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.509 ' H3 ' ' CD ' ' D' ' 6' ' ' GLN . 65.7 mtt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 2.3 mm? -84.41 -80.48 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.025 -1.047 . . . . 0.0 108.823 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.5 mt-10 171.54 -51.59 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 120.992 -1.067 . . . . 0.0 108.762 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 39.4 Cg_endo -90.83 -37.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.774 2.316 . . . . 0.0 112.828 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -89.14 -54.81 3.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.226 -0.921 . . . . 0.0 110.61 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . 0.509 ' CD ' ' H3 ' ' D' ' 1' ' ' MET . 34.5 tp60 -52.05 -42.68 63.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.998 -1.064 . . . . 0.0 110.204 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.2 -18.21 19.53 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.203 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.37 -52.17 8.44 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.6 p -59.76 -43.49 94.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.163 -0.96 . . . . 0.0 109.551 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.1 -34.41 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.204 -0.935 . . . . 0.0 109.609 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -71.28 -33.57 69.87 Favored 'General case' 0 C--O 1.209 -1.046 0 O-C-N 120.01 -1.682 . . . . 0.0 110.941 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -71.86 -36.42 70.11 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.714 -0.795 . . . . 0.0 109.664 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.75 -53.68 43.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.838 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tp -63.65 -32.97 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.168 -0.958 . . . . 0.0 109.687 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.06 -35.01 61.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 109.956 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.9 p -62.81 -53.97 46.12 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.132 -0.98 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.98 93.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.548 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.53 -41.33 97.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.356 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.863 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -56.96 -52.32 65.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.54 -38.26 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.728 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.45 65.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 0.0 109.585 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -79.68 -45.44 18.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.588 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.4 m -66.53 -36.45 82.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.099 -1.001 . . . . 0.0 109.827 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 94.1 mt -76.36 -54.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.74 -1.225 . . . . 0.0 110.052 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' D' ' 29' ' ' ASN . . . -63.54 -28.11 71.95 Favored Glycine 0 N--CA 1.504 3.209 0 C-N-CA 119.92 -1.133 . . . . 0.0 110.279 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -87.05 -55.83 3.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.557 -1.555 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.96 -55.36 20.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.778 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' D' ' 30' ' ' GLN . 38.1 p-10 -54.43 -34.82 62.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.02 . . . . 0.0 109.623 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' D' ' 29' ' ' ASN . 38.0 tt0 -58.13 -42.1 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.987 . . . . 0.0 109.316 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.84 51.85 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 109.479 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -111.57 -34.74 5.99 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.486 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 54.8 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.0 tt 82.3 -57.22 0.21 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.79 -0.569 . . . . 0.0 110.235 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.7 tt0 -74.34 -48.79 5.5 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.48 -1.388 . . . . 0.0 109.533 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 40.6 Cg_endo -98.04 -13.93 0.33 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 123.001 2.468 . . . . 0.0 112.738 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -102.42 -62.33 1.28 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -53.98 -28.13 35.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.74 -1.225 . . . . 0.0 109.974 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -72.57 -20.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.151 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 tt -79.3 -48.57 13.88 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 p -59.26 -34.11 71.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.706 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 10' ' ' ILE . 92.8 mt -71.47 -65.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.946 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -44.92 -40.7 6.55 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.012 -1.68 . . . . 0.0 110.965 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -64.17 -43.9 93.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.84 -1.163 . . . . 0.0 109.243 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -54.7 -40.15 68.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.321 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.2 -45.2 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.317 -0.865 . . . . 0.0 109.331 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.68 -35.8 81.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 109.646 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.8 m -56.31 -47.87 77.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.942 . . . . 0.0 109.986 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.49 72.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -50.7 -48.0 58.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.65 -37.73 87.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.777 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.47 -51.18 70.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.891 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.75 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.805 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.41 91.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -68.71 -43.46 75.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -65.06 -34.66 78.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.252 -0.905 . . . . 0.0 109.858 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.53 -57.22 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.9 -1.125 . . . . 0.0 110.139 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.54 83.47 Favored Glycine 0 N--CA 1.503 3.13 0 C-N-CA 119.721 -1.228 . . . . 0.0 110.152 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.61 -49.32 16.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.546 -1.561 . . . . 0.0 109.56 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.55 -38.99 93.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -60.52 -37.95 82.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -57.64 -45.98 84.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.196 -0.94 . . . . 0.0 109.523 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.53 56.07 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.193 -0.942 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -170.69 -65.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.914 -1.116 . . . . 0.0 109.538 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.426 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 31.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.2 tt 81.38 -60.35 0.22 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.797 -0.564 . . . . 0.0 110.532 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.5 tm-20 -70.78 -49.63 14.05 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 120.674 -1.266 . . . . 0.0 109.821 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 41.3 Cg_endo -98.15 -15.04 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.849 2.366 . . . . 0.0 112.74 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -101.13 -62.06 1.29 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.201 -0.937 . . . . 0.0 111.249 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.09 -26.87 29.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.672 -1.267 . . . . 0.0 110.14 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.69 -17.42 16.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 109.232 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 tt -82.07 -50.62 8.88 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -57.69 -46.51 84.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.626 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.5 mt -62.31 -52.5 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 109.543 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.406 ' C ' ' O ' ' B' ' 10' ' ' ILE . 70.6 m -43.15 -51.57 5.91 Favored 'General case' 0 C--O 1.205 -1.24 0 O-C-N 119.998 -1.689 . . . . 0.0 110.958 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -53.9 -45.94 71.27 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.361 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -51.18 -44.25 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 0.0 109.273 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.402 HD12 HG21 ' B' ' 14' ' ' ILE . 22.1 mm -58.58 -42.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.91 -42.02 86.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.835 . . . . 0.0 109.287 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.7 m -49.39 -51.18 36.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.167 -0.958 . . . . 0.0 109.818 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.04 11.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -47.69 30.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 109.125 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -52.62 -42.69 64.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.57 -47.33 73.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.941 . . . . 0.0 109.687 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.78 -34.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.58 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.11 -37.62 38.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -73.11 -43.79 61.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 109.625 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.503 ' CG2' ' N ' ' B' ' 25' ' ' ILE . 2.5 t -63.27 -47.87 80.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.21 -0.931 . . . . 0.0 109.354 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG2' ' B' ' 24' ' ' THR . 96.7 mt -65.81 -58.34 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -31.93 59.67 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -85.74 -64.16 1.2 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.643 -1.504 . . . . 0.0 108.855 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' B' ' 24' ' ' THR . 6.7 tt -48.0 -52.39 20.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 0.0 109.094 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -53.09 -42.14 65.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 109.281 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -55.54 -34.23 64.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.143 -0.973 . . . . 0.0 108.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mt -89.0 47.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.421 -0.8 . . . . 0.0 108.979 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -101.08 -44.86 5.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.621 -0.674 . . . . 0.0 109.339 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.498 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttp . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' C' ' 2' ' ' LEU . 3.4 mm? -60.17 -83.5 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.088 -1.008 . . . . 0.0 109.03 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 2.6 tp10 -176.68 -42.56 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 120.867 -1.146 . . . . 0.0 110.083 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 91.4 Cg_endo -97.25 -73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.856 2.371 . . . . 0.0 114.065 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -80.61 -52.75 7.22 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.283 -0.886 . . . . 0.0 111.87 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -45.97 -47.46 16.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.944 -1.098 . . . . 0.0 111.057 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.4 -20.18 24.09 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.776 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -75.19 -50.21 16.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 108.907 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -62.36 -43.99 97.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -37.13 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.089 -1.007 . . . . 0.0 109.821 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -64.7 -39.59 93.91 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 119.971 -1.705 . . . . 0.0 110.945 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -67.92 -36.52 80.32 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.533 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.71 -49.03 76.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -60.34 -45.08 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.55 -48.71 71.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -43.97 -52.54 6.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.513 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.34 89.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.931 -1.106 . . . . 0.0 109.772 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 31.5 tp -52.54 -39.39 61.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 109.662 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -67.65 -58.61 4.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.215 -0.928 . . . . 0.0 110.016 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -51.53 -48.08 63.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.185 -0.947 . . . . 0.0 109.683 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.69 -63.9 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.151 -0.968 . . . . 0.0 109.657 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.31 -26.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 0.0 110.094 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -71.35 -43.2 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.18 -0.95 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -65.28 -35.97 82.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.528 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.6 mp -77.65 -56.2 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.776 -1.202 . . . . 0.0 109.43 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.18 -34.17 87.03 Favored Glycine 0 N--CA 1.504 3.167 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.226 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -73.74 -51.43 16.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.506 -1.585 . . . . 0.0 109.499 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.36 -37.54 86.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -55.41 -38.2 68.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 109.703 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -49.74 76.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.135 -0.978 . . . . 0.0 109.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 tp -90.38 55.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 109.349 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.26 -21.99 0.34 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.01 -1.056 . . . . 0.0 109.253 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.487 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.518 ' H2 ' ' CD ' ' D' ' 6' ' ' GLN . 22.5 ptm . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' D' ' 2' ' ' LEU . 1.9 mm? -88.51 -95.16 0.1 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.207 -0.933 . . . . 0.0 109.048 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.2 tp10 179.1 -45.98 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 120.478 -1.389 . . . . 0.0 108.442 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 45.8 Cg_endo -95.64 -24.15 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.932 2.421 . . . . 0.0 112.36 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -99.25 -54.14 3.04 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.23 -0.919 . . . . 0.0 110.347 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . 0.518 ' CD ' ' H2 ' ' D' ' 1' ' ' MET . 6.6 tt0 -56.97 -29.92 63.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.077 . . . . 0.0 109.869 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -72.26 -17.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 tt -81.47 -53.12 6.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 108.727 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.8 p -58.31 -42.71 87.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.419 HD11 HG23 ' D' ' 10' ' ' ILE . 89.7 mt -61.43 -60.2 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.266 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.07 -44.22 7.35 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 119.889 -1.757 . . . . 0.0 110.991 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -64.39 -28.33 69.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -68.53 -54.92 13.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.007 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 pt -60.38 -34.35 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.558 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tt -74.16 -48.5 28.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.254 -0.904 . . . . 0.0 109.234 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -45.8 -49.04 15.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.137 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.22 84.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.999 -1.063 . . . . 0.0 109.591 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.49 -50.48 71.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.968 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -66.89 -36.24 81.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.37 -49.69 71.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.2 mt -77.91 -45.72 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.916 . . . . 0.0 109.955 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.92 -43.31 71.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.341 -0.849 . . . . 0.0 109.439 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -63.56 -33.87 76.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.223 -0.923 . . . . 0.0 110.112 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -79.58 -58.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.882 -1.136 . . . . 0.0 109.926 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.5 90.75 Favored Glycine 0 N--CA 1.503 3.123 0 C-N-CA 119.752 -1.213 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -70.46 -47.57 60.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.525 -1.573 . . . . 0.0 109.332 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.64 -32.54 67.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.355 -0.841 . . . . 0.0 109.262 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -58.85 -39.79 82.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.225 -0.922 . . . . 0.0 109.379 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -58.75 -45.3 90.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -91.2 55.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.257 -0.902 . . . . 0.0 109.189 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -151.95 -74.89 0.14 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.415 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 65.2 mtp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.5 tt 84.49 -61.29 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.92 -0.488 . . . . 0.0 110.051 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.9 tt0 -66.39 -49.34 53.67 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.453 -1.404 . . . . 0.0 109.226 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.49 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 39.9 Cg_endo -95.98 -23.78 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.81 2.34 . . . . 0.0 112.517 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -88.54 -44.05 10.95 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.236 -0.915 . . . . 0.0 110.671 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -46.74 -51.41 16.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.779 -1.2 . . . . 0.0 110.364 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 tt -54.42 -20.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tt -78.82 -46.53 18.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.292 -0.88 . . . . 0.0 108.842 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -62.18 -32.88 73.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 109.925 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.35 -64.1 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.045 -1.035 . . . . 0.0 109.79 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.68 -42.1 11.2 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.085 -1.635 . . . . 0.0 110.952 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -63.0 -38.74 92.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.924 -1.11 . . . . 0.0 109.347 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.51 -49.25 64.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.713 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.17 -45.18 64.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.248 -0.908 . . . . 0.0 109.392 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.4 p -47.29 -45.76 24.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.085 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.06 69.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.067 -1.021 . . . . 0.0 109.762 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.0 -43.89 78.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 109.483 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.31 -36.89 80.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.935 . . . . 0.0 110.004 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -63.9 -51.46 64.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.847 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.7 tt -72.52 -34.61 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 109.879 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.21 71.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -67.39 -43.53 81.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 m -63.21 -35.11 79.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.908 . . . . 0.0 109.816 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -81.04 -58.78 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.82 -1.175 . . . . 0.0 109.824 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.69 -35.43 62.51 Favored Glycine 0 N--CA 1.503 3.127 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -78.18 -54.64 6.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.536 -1.567 . . . . 0.0 109.256 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.22 -52.68 63.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.218 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -49.83 -34.56 20.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -62.61 -60.69 3.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.505 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 tt -77.6 48.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-O 122.166 0.984 . . . . 0.0 108.954 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.04 -54.94 2.6 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.367 -0.833 . . . . 0.0 109.327 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.519 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.503 ' CG ' ' H ' ' B' ' 3' ' ' GLU . 2.2 tp 67.89 -136.17 0.11 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.503 ' H ' ' CG ' ' B' ' 2' ' ' LEU . 0.1 OUTLIER 57.33 157.3 0.08 OUTLIER Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.758 -1.214 . . . . 0.0 110.838 178.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -33.15 -36.44 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.077 0 C-N-CA 123.218 2.612 . . . . 0.0 112.176 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -59.08 -46.8 87.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.766 . . . . 0.0 109.249 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 3' ' ' GLU . 7.7 tp-100 -68.57 -71.36 0.22 Allowed 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.925 -1.109 . . . . 0.0 110.628 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tt -43.9 -25.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.618 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.6 -47.22 56.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.869 -1.144 . . . . 0.0 108.705 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -64.94 -35.55 81.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.1 -56.88 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.918 . . . . 0.0 109.989 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -55.4 -41.94 73.38 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 120.237 -1.539 . . . . 0.0 110.945 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 26.2 m -64.7 -35.82 82.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -69.37 -48.82 60.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.0 109.519 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 93.8 mt -56.21 -35.53 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 109.617 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -74.34 -43.9 54.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.07 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -46.96 -48.63 21.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.202 -0.937 . . . . 0.0 109.725 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -46.23 63.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.147 -0.971 . . . . 0.0 109.29 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.8 -47.81 51.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.336 -0.852 . . . . 0.0 108.949 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -64.19 -36.55 84.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.259 -0.9 . . . . 0.0 109.67 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -60.76 -40.78 93.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.032 -1.042 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mm -78.23 -52.75 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 109.934 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.35 92.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 109.876 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -62.84 -44.41 96.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.885 . . . . 0.0 109.89 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 46.3 m -65.06 -34.88 79.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.78 -55.45 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.906 -1.121 . . . . 0.0 109.962 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -35.07 91.33 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.661 -1.257 . . . . 0.0 110.219 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.79 -46.92 50.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.49 -1.594 . . . . 0.0 109.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -63.94 -36.98 85.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 0.0 109.075 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -55.51 -40.3 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.351 -0.843 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -56.39 -52.82 63.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.527 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.4 tt -87.44 55.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.225 -0.922 . . . . 0.0 109.163 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -163.49 -67.18 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.943 -1.098 . . . . 0.0 109.275 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.416 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.263 0.554 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.88 -120.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.764 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 3.7 pm0 -170.03 -23.33 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 120.485 -1.384 . . . . 0.0 111.758 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.764 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 35.3 Cg_endo -98.55 -51.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 0 C-N-CA 121.613 1.542 . . . . 0.0 111.668 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.463 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 43.3 t80 -90.7 -46.58 8.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.468 -0.77 . . . . 0.0 109.888 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -47.5 -39.26 15.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.168 -0.957 . . . . 0.0 110.619 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.83 -21.05 27.91 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 O-C-N 121.86 -0.525 . . . . 0.0 110.196 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tt -79.2 -45.94 18.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.893 . . . . 0.0 108.633 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 31.2 t -60.27 -33.84 72.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.86 -66.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.996 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 97.2 p -43.8 -37.51 2.78 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.933 -1.729 . . . . 0.0 110.982 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -65.84 -40.21 91.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.488 -1.383 . . . . 0.0 109.034 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.09 -38.64 76.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -62.11 -48.79 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.133 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.55 -27.15 68.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.768 . . . . 0.0 109.912 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.5 m -67.11 -49.48 64.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.29 76.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.103 -0.998 . . . . 0.0 109.395 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.81 -39.55 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -61.87 -48.92 78.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -52.78 -55.66 21.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 109.576 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.42 -47.5 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.655 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.2 61.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.942 . . . . 0.0 109.506 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -66.48 -44.62 82.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.18 -0.95 . . . . 0.0 109.384 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -66.93 -33.07 74.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.0 109.792 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.414 HD12 HG21 ' C' ' 25' ' ' ILE . 97.3 mt -76.05 -57.11 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.93 -1.106 . . . . 0.0 109.841 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.4 -35.57 92.11 Favored Glycine 0 N--CA 1.502 3.042 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.112 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -70.0 -44.79 68.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.476 -1.602 . . . . 0.0 109.079 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.22 -36.28 83.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.023 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.912 . . . . 0.0 109.403 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -57.91 -48.92 78.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -92.43 58.84 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.303 -0.873 . . . . 0.0 109.13 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -158.62 -65.65 0.08 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.533 -179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.569 ' H2 ' ' NE2' ' D' ' 6' ' ' GLN . 60.3 mtt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' D' ' 2' ' ' LEU . 1.7 mm? -89.29 -86.09 0.19 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.117 -0.989 . . . . 0.0 109.177 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.6 mt-10 171.37 -51.15 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 120.712 -1.243 . . . . 0.0 108.292 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 43.7 Cg_endo -89.56 -31.81 0.13 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -91.62 -55.37 3.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . 0.569 ' NE2' ' H2 ' ' D' ' 1' ' ' MET . 34.1 tt0 -52.64 -34.09 49.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 110.312 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.9 tt -72.79 -16.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.219 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.38 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -80.05 -53.02 7.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -59.95 -44.44 94.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.0 109.542 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.32 -36.97 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.1 m -62.19 -38.84 90.64 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 119.939 -1.726 . . . . 0.0 110.934 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.427 ' O ' ' OG ' ' D' ' 16' ' ' SER . 23.4 t -66.49 -33.99 76.92 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.799 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.96 -60.03 3.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 0.0 110.121 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' D' ' 15' ' ' LEU . 0.2 OUTLIER -54.85 -43.59 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.29 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.424 ' N ' ' CG2' ' D' ' 14' ' ' ILE . 1.2 tt -65.5 -42.72 91.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.078 -1.014 . . . . 0.0 109.425 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' D' ' 12' ' ' SER . 74.6 m -48.41 -53.81 16.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.012 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.17 80.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.105 -0.997 . . . . 0.0 109.737 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -51.24 -45.46 61.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.186 -0.946 . . . . 0.0 109.319 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -68.69 -37.89 79.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.38 -55.89 15.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.931 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 20.5 tt -64.65 -39.38 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.162 -0.961 . . . . 0.0 109.763 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.98 97.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 0.0 109.516 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -60.16 -43.69 95.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.935 . . . . 0.0 109.463 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 45.4 m -66.04 -34.38 77.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 109.87 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.11 -57.07 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.812 -1.18 . . . . 0.0 109.808 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.35 88.1 Favored Glycine 0 N--CA 1.503 3.12 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.106 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -75.49 -52.62 10.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.5 -1.588 . . . . 0.0 109.332 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.05 -41.36 96.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -0.839 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.79 -41.86 87.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.154 -0.966 . . . . 0.0 109.493 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -54.48 -45.76 73.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.0 109.313 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 pt -90.87 55.26 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.256 -0.903 . . . . 0.0 109.519 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -155.92 -40.03 0.08 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.379 -0.826 . . . . 0.0 109.392 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.334 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.3 tp -80.41 -52.92 7.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.214 -0.929 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.614 ' C ' ' H ' ' A' ' 5' ' ' PHE . 10.8 pt-20 -170.09 -175.1 0.33 Allowed Pre-proline 0 C--N 1.297 -1.7 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -53.95 6.61 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.605 0 CA-C-N 120.709 1.289 . . . . 0.0 112.203 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.614 ' H ' ' C ' ' A' ' 3' ' ' GLU . 18.6 t80 -103.09 -71.91 0.71 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -55.48 -40.65 71.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.788 -1.195 . . . . 0.0 109.769 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 tt -63.44 -20.75 26.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.225 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.279 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.54 -37.32 43.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 108.917 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -64.53 -48.62 74.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.0 110.021 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 pt -77.27 -24.81 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 110.267 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -78.38 -48.03 16.4 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 119.772 -1.83 . . . . 0.0 110.992 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t -67.74 -25.24 65.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.238 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -72.05 -60.93 1.98 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 tt -55.1 -35.74 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 109.159 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.16 -40.21 65.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 108.862 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.8 t -48.65 -47.34 40.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.12 33.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.226 -0.921 . . . . 0.0 109.384 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -49.11 -45.3 43.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 0.0 109.292 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.8 -33.05 74.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.681 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -67.13 -51.01 59.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.402 HD13 HG22 ' A' ' 21' ' ' ILE . 19.1 pt -74.41 -29.39 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.66 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.51 72.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.967 . . . . 0.0 109.4 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -77.36 -46.23 23.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -68.47 -34.65 76.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.181 -0.949 . . . . 0.0 109.866 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.39 -53.95 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.685 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.93 88.58 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -76.73 -51.95 10.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.698 -1.472 . . . . 0.0 109.031 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.65 -49.44 73.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.025 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -54.1 -34.43 60.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.0 109.534 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.94 -50.88 72.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.556 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.48 55.47 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 122.028 0.918 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -162.31 -76.37 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.946 -1.096 . . . . 0.0 109.434 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.499 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.507 ' H1 ' ' CD ' ' B' ' 4' ' ' PRO . 39.8 ttm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.6 tt 81.72 -57.26 0.25 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.765 -0.585 . . . . 0.0 109.989 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.8 mt-10 -69.11 -49.42 24.75 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 120.463 -1.398 . . . . 0.0 109.412 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.507 ' CD ' ' H1 ' ' B' ' 1' ' ' MET . 36.9 Cg_endo -96.2 -21.68 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.849 2.366 . . . . 0.0 112.588 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.43 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 45.6 t80 -91.71 -43.31 9.65 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 111.1 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -45.4 -64.19 0.78 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.925 -1.109 . . . . 0.0 110.387 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.49 -21.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.29 -53.83 11.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.877 -1.139 . . . . 0.0 108.564 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -53.12 -38.27 62.5 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.275 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.1 -57.54 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.166 -0.959 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.29 -43.29 7.29 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 120.241 -1.537 . . . . 0.0 110.963 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 10.8 t -67.18 -42.9 83.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.663 -1.273 . . . . 0.0 109.577 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.58 -48.58 78.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.34 -40.92 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.177 -0.952 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.58 -34.78 76.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -57.37 -52.18 66.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.084 -1.01 . . . . 0.0 109.555 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.61 -55.06 11.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 109.31 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.1 -40.74 24.31 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 108.95 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -60.61 -45.32 94.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.59 -52.7 50.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.764 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.52 -38.72 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.237 -0.914 . . . . 0.0 109.582 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.65 68.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 109.721 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -62.05 -44.15 97.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.129 -0.982 . . . . 0.0 109.541 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.3 m -59.86 -34.27 72.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.967 . . . . 0.0 109.859 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -85.45 -60.52 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.912 -1.118 . . . . 0.0 110.308 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -34.58 58.39 Favored Glycine 0 N--CA 1.505 3.275 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.67 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -56.08 -41.18 74.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.396 -1.65 . . . . 0.0 109.515 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -50.92 -40.56 57.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.176 -0.952 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.57 ' N ' HD21 ' B' ' 29' ' ' ASN . 1.7 m120 -51.76 -45.78 63.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 0.0 109.173 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -57.63 -34.46 69.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.287 -0.883 . . . . 0.0 108.732 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -90.74 49.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.435 -0.791 . . . . 0.0 109.064 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -158.9 -72.85 0.08 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.464 -0.772 . . . . 0.0 109.454 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.498 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 ttm . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.447 0.641 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' C' ' 2' ' ' LEU . 0.2 OUTLIER -150.45 -136.33 0.07 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 108.633 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.43 ' CB ' ' CD ' ' C' ' 4' ' ' PRO . 14.0 mt-10 -137.85 -65.61 0.02 OUTLIER Pre-proline 0 N--CA 1.5 2.057 0 O-C-N 120.145 -1.597 . . . . 0.0 109.719 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 80.8 Cg_exo -31.43 -56.3 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.265 0 C-N-CA 122.427 2.084 . . . . 0.0 113.225 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' C' ' 5' ' ' PHE . 84.3 t80 -92.86 -1.29 56.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.136 -0.978 . . . . 0.0 110.462 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' C' ' 3' ' ' GLU . 30.0 tp60 -73.4 -40.9 63.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.685 -1.259 . . . . 0.0 110.788 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -71.27 -23.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 O-C-N 121.674 -0.641 . . . . 0.0 110.146 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.36 -43.2 41.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.896 -1.127 . . . . 0.0 108.456 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' C' ' 10' ' ' ILE . 20.0 p -64.96 -43.84 91.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.488 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.57 ' N ' ' HG ' ' C' ' 9' ' ' SER . 96.6 mt -61.3 -61.88 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 0.0 109.722 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.43 -42.54 7.08 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 120.001 -1.687 . . . . 0.0 110.967 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -62.19 -46.35 89.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.682 -1.261 . . . . 0.0 109.509 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.86 -43.76 97.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.667 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.51 -40.69 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 110.168 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.25 -31.95 69.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 0.0 109.616 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -62.58 -54.21 43.08 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.856 -1.153 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.89 72.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.951 -1.093 . . . . 0.0 109.526 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.81 -33.49 75.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -72.63 -40.74 66.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.913 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.86 -57.38 10.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.715 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 tt -56.66 -38.48 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.155 -0.965 . . . . 0.0 109.662 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.19 -35.95 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -68.54 -43.02 77.61 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.3 m -67.57 -33.72 75.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 110.023 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -77.92 -55.03 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.807 -1.183 . . . . 0.0 109.843 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.55 -34.36 89.7 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.05 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -72.5 -46.44 54.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.575 -1.544 . . . . 0.0 109.314 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.08 -34.35 70.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 0.0 109.215 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.9 -37.58 88.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 109.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -53.14 -38.21 62.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.35 51.41 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 CA-C-O 122.315 1.055 . . . . 0.0 108.825 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -156.97 -73.8 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.022 -1.049 . . . . 0.0 109.185 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.504 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.507 ' O ' ' N ' ' D' ' 3' ' ' GLU . 48.8 ttp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' D' ' 3' ' ' GLU . 6.7 tt 62.81 -65.58 0.09 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.726 -0.609 . . . . 0.0 110.312 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.799 ' O ' ' N ' ' D' ' 5' ' ' PHE . 12.6 mt-10 -46.8 160.83 0.31 Allowed Pre-proline 0 N--CA 1.497 1.894 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' D' ' 3' ' ' GLU . 27.0 Cg_exo -11.91 57.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.485 0.994 0 C-N-CA 125.02 3.813 . . . . 0.0 114.176 -177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . 0.799 ' N ' ' O ' ' D' ' 3' ' ' GLU . 15.3 t80 -151.65 -66.43 0.18 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.74 -34.1 69.24 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.966 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -66.68 -23.83 31.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.58 -44.12 29.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.179 -0.95 . . . . 0.0 108.565 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -53.34 -43.02 67.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.409 -0.807 . . . . 0.0 109.175 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -64.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.77 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.7 -46.37 10.29 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 120.043 -1.661 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -65.34 -35.33 80.66 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.865 -1.147 . . . . 0.0 109.045 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.77 -42.81 98.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.39 -0.819 . . . . 0.0 109.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.8 -44.52 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.356 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.59 -46.41 66.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.414 -0.804 . . . . 0.0 109.359 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.2 m -46.58 -46.8 19.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.963 . . . . 0.0 109.931 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.29 65.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 0.0 109.375 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.93 -51.97 67.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 0.0 109.173 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -67.51 -30.56 70.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.718 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.26 -43.24 87.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.931 . . . . 0.0 109.606 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -80.04 -49.17 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.64 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 109.774 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.83 -42.97 72.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.225 -0.922 . . . . 0.0 109.657 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -65.72 -35.9 82.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.4 mt -79.86 -55.89 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.783 -1.198 . . . . 0.0 109.824 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -34.29 76.58 Favored Glycine 0 N--CA 1.503 3.125 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.45 -52.89 7.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.653 -1.499 . . . . 0.0 109.254 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.05 -51.57 66.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.341 -0.849 . . . . 0.0 109.242 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.99 -34.85 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.163 -0.96 . . . . 0.0 109.578 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -57.43 11.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.203 -0.935 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -79.01 48.13 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.019 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -100.57 -42.16 6.67 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.382 -0.824 . . . . 0.0 109.18 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.451 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 6.4 ptt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 1' ' ' MET . 3.5 tt 86.57 -62.41 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 122.054 -0.404 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.9 tt0 -67.73 -48.56 41.84 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 120.447 -1.408 . . . . 0.0 109.281 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -95.1 -26.43 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.921 2.414 . . . . 0.0 112.632 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.401 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 23.8 t80 -85.91 -46.64 10.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.117 -0.989 . . . . 0.0 110.789 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -45.31 -59.98 2.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.971 -1.08 . . . . 0.0 110.374 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -51.68 -20.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 O-C-N 121.943 -0.473 . . . . 0.0 110.154 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tt -73.42 -47.39 42.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.973 -1.08 . . . . 0.0 108.162 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.45 -37.3 77.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.298 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.2 -62.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.563 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.26 -45.08 5.67 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 120.339 -1.476 . . . . 0.0 110.972 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -62.0 -37.53 85.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.627 -1.296 . . . . 0.0 109.331 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.75 -45.89 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 0.0 109.277 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.44 -32.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -38.59 50.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.85 . . . . 0.0 109.565 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 109.995 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.48 54.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.444 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 tp -54.47 -49.88 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.154 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.87 -40.19 94.52 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.612 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.92 -52.21 66.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.128 -0.982 . . . . 0.0 109.634 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.84 -38.79 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -0.885 . . . . 0.0 109.9 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.224 -0.922 . . . . 0.0 109.699 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -74.68 -43.96 52.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -67.51 -33.82 75.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.227 -0.92 . . . . 0.0 110.107 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 95.7 mt -77.33 -54.29 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.904 -1.123 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -33.91 87.47 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.979 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -73.01 -48.29 37.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.575 -1.544 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.98 -40.3 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 21.1 m120 -58.22 -33.72 69.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.926 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -60.06 -47.52 85.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -92.79 57.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' O ' ' OXT' ' A' ' 33' ' ' ARG . 83.9 tttt -159.4 -53.23 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 109.5 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' OXT' ' O ' ' A' ' 32' ' ' LYS . 17.9 tpt180 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' B' ' 2' ' ' LEU . 0.1 OUTLIER -152.68 -130.45 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.139 -0.976 . . . . 0.0 109.545 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.496 ' H ' ' HG ' ' B' ' 2' ' ' LEU . 16.0 tt0 -145.8 -59.69 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.188 -1.57 . . . . 0.0 110.98 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.462 ' HD2' ' H ' ' B' ' 3' ' ' GLU . 8.5 Cg_endo -48.39 -62.67 0.4 Allowed 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.482 1.454 . . . . 0.0 112.434 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' B' ' 5' ' ' PHE . 66.1 t80 -76.52 1.93 15.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.239 -0.913 . . . . 0.0 110.132 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -74.63 -29.86 61.44 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.996 -1.065 . . . . 0.0 110.912 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.66 -26.33 16.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 121.426 -0.796 . . . . 0.0 110.125 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.72 -41.37 45.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.915 -1.116 . . . . 0.0 108.105 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -60.12 -45.16 93.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 0.0 109.845 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.7 mt -64.07 -61.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.092 -1.005 . . . . 0.0 110.387 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.428 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.1 m -41.03 -46.37 2.86 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 120.009 -1.682 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -63.75 -34.45 77.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.493 -1.38 . . . . 0.0 109.579 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 10' ' ' ILE . 83.3 t80 -64.09 -57.2 10.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 pt -61.19 -36.33 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.139 -0.976 . . . . 0.0 110.109 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.13 -46.49 64.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.47 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -50.01 -54.0 23.03 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.943 . . . . 0.0 110.194 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.921 -1.112 . . . . 0.0 109.578 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -48.05 69.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 108.669 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -66.55 -52.02 50.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.0 109.486 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -48.27 -44.41 33.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.013 -1.054 . . . . 0.0 109.739 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mm -77.02 -63.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.41 -26.31 0.53 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 110.343 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -81.03 -45.7 16.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.163 -0.961 . . . . 0.0 109.668 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' B' ' 28' ' ' LEU . 53.6 m -66.61 -41.08 88.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.105 -0.997 . . . . 0.0 110.424 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' B' ' 25' ' ' ILE . 1.8 mp -79.11 -43.97 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.463 -1.398 . . . . 0.0 109.544 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -23.71 70.81 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.57 -69.73 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.679 -1.483 . . . . 0.0 110.714 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.656 ' H ' ' CD1' ' B' ' 28' ' ' LEU . 0.0 OUTLIER -60.65 -7.02 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.853 -1.155 . . . . 0.0 111.142 -178.086 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 25' ' ' ILE . 14.4 m120 -77.82 -53.02 7.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.849 -1.157 . . . . 0.0 109.012 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.501 ' NE2' ' OE1' ' C' ' 30' ' ' GLN . 98.4 mm-40 -56.35 -28.49 59.21 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.987 -1.071 . . . . 0.0 108.27 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.9 mt -94.78 49.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.501 -0.75 . . . . 0.0 109.008 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -157.94 -4.81 0.09 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.766 . . . . 0.0 109.484 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.484 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 64.6 mtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.0 tp 79.93 -61.01 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.601 -0.687 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 16.3 tt0 -61.82 -38.6 51.54 Favored Pre-proline 0 C--N 1.3 -1.574 0 O-C-N 120.756 -1.215 . . . . 0.0 110.353 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 35.6 Cg_exo -60.77 -73.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.019 1.813 . . . . 0.0 112.177 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -151.82 9.69 0.53 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.812 -1.18 . . . . 0.0 112.135 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -55.91 6.32 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 119.57 -1.956 . . . . 0.0 110.924 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.9 -23.85 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.97 -1.081 . . . . 0.0 109.774 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -42.1 89.57 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -68.54 -43.59 76.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.646 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.51 -50.4 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.0 -1.063 . . . . 0.0 110.12 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -56.98 -47.63 80.32 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 119.804 -1.81 . . . . 0.0 110.979 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -64.09 -29.34 70.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.876 -1.14 . . . . 0.0 109.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.78 -52.8 15.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.42 -32.93 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.98 -36.93 56.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.24 -0.913 . . . . 0.0 109.695 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -61.83 -50.78 70.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.032 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -42.59 74.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.065 -1.022 . . . . 0.0 109.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.88 -36.48 83.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.07 -46.96 75.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.993 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.42 -56.35 22.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.088 -1.008 . . . . 0.0 109.724 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.38 -57.5 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.958 . . . . 0.0 109.607 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.4 -33.7 2.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.224 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -74.75 -44.16 51.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.141 -0.974 . . . . 0.0 109.996 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -62.32 -35.92 80.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.7 mp -82.01 -58.0 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.722 -1.236 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.64 61.09 Favored Glycine 0 N--CA 1.504 3.19 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.096 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.25 -47.43 50.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.526 -1.573 . . . . 0.0 109.105 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.63 -35.77 68.71 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.183 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.01 -34.12 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . 0.501 ' OE1' ' NE2' ' B' ' 30' ' ' GLN . 89.6 mt-30 -64.78 -50.48 66.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.965 . . . . 0.0 109.686 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 tp -84.76 48.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.067 -1.021 . . . . 0.0 108.965 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -100.46 -43.55 6.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 109.017 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . 0.641 ' NH2' HH22 ' D' ' 33' ' ' ARG . 95.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.461 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 1.7 mm? -84.62 -121.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 108.576 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.671 ' H ' ' CD ' ' D' ' 4' ' ' PRO . 2.3 mt-10 -146.55 -42.12 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.219 -1.551 . . . . 0.0 109.965 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.671 ' CD ' ' H ' ' D' ' 3' ' ' GLU . 87.3 Cg_endo -97.3 -53.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.774 2.316 . . . . 0.0 112.606 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.81 -48.86 62.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 110.017 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' D' ' 8' ' ' LEU . 55.3 tp60 -51.18 -71.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -0.984 . . . . 0.0 109.981 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -41.65 -21.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.507 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' D' ' 6' ' ' GLN . 3.3 tt -75.04 -53.31 9.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.474 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -55.95 -36.47 67.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.258 -0.901 . . . . 0.0 109.259 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' D' ' 11' ' ' SER . 18.2 mm -60.63 -56.41 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.109 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.4 m -42.18 -51.16 4.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 120.04 -1.662 . . . . 0.0 110.973 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -44.36 77.32 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.59 -34.79 65.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.925 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.77 -53.5 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.522 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.06 -30.31 70.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 0.0 109.441 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -60.16 -46.95 87.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.0 109.825 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.37 53.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.0 109.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.28 -47.5 81.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.97 -40.64 96.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.907 . . . . 0.0 109.833 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.27 -51.72 65.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.821 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.1 -43.16 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.3 69.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 109.594 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -73.0 -43.76 61.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 0.0 109.417 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 43.3 m -64.46 -34.99 79.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.261 -0.9 . . . . 0.0 109.816 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.26 -58.95 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.791 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.42 -35.52 79.77 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -69.8 -46.62 65.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.648 -1.501 . . . . 0.0 109.123 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.43 -37.87 88.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.357 -0.839 . . . . 0.0 109.227 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.34 -37.35 74.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.928 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.78 -46.35 89.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 pt -87.99 51.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 109.109 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -108.33 -45.57 3.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . 0.641 HH22 ' NH2' ' C' ' 33' ' ' ARG . 80.2 mtm180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.555 ' H1 ' ' CD ' ' A' ' 4' ' ' PRO . 56.3 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 85.2 -61.49 0.07 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 122.018 -0.426 . . . . 0.0 110.538 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.1 mm-40 -75.02 -43.66 4.67 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 120.622 -1.298 . . . . 0.0 110.036 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.555 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 64.3 Cg_endo -101.79 -7.53 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 123.256 2.637 . . . . 0.0 112.585 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -111.99 -63.36 1.43 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.38 -0.825 . . . . 0.0 110.597 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -54.07 -24.51 17.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.804 -1.185 . . . . 0.0 109.753 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 tt -73.2 -23.05 19.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.302 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.31 -44.4 21.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 108.556 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -57.92 -41.96 83.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.379 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.97 -65.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 0.0 109.626 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -46.1 -45.19 16.21 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 119.986 -1.697 . . . . 0.0 110.958 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -68.75 -21.1 64.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.744 -1.222 . . . . 0.0 109.688 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.6 -58.43 3.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.208 -0.933 . . . . 0.0 109.877 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.75 -36.48 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.997 -1.065 . . . . 0.0 109.542 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.17 -35.52 66.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.054 . . . . 0.0 109.406 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -55.92 -49.14 74.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 0.0 109.575 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.26 91.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.162 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.3 60.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.368 -0.832 . . . . 0.0 109.144 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -66.28 -30.95 71.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 109.798 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.57 -48.06 81.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.95 . . . . 0.0 109.939 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 21' ' ' ILE . 24.8 pt -75.49 -29.92 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.069 -1.019 . . . . 0.0 109.636 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.46 78.36 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -75.97 -48.31 21.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.287 -0.883 . . . . 0.0 109.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -65.37 -34.49 78.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.119 -0.988 . . . . 0.0 110.327 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.54 -53.33 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.794 -1.191 . . . . 0.0 109.93 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.68 -33.51 84.61 Favored Glycine 0 N--CA 1.503 3.138 0 C-N-CA 119.647 -1.263 . . . . 0.0 109.985 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -72.21 -45.24 61.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.551 -1.558 . . . . 0.0 109.1 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.03 -36.21 74.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.196 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.82 -33.78 72.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -61.17 -46.0 92.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 tt -92.63 55.48 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -157.66 -67.69 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.924 -1.11 . . . . 0.0 109.369 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.479 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 64.7 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 1' ' ' MET . 3.1 tt 85.42 -62.08 0.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.999 -0.438 . . . . 0.0 110.041 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.8 mt-10 -65.29 -49.28 65.58 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 120.526 -1.359 . . . . 0.0 109.138 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 36.0 Cg_endo -95.39 -33.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.866 2.378 . . . . 0.0 112.467 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.412 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 41.3 t80 -76.28 -47.03 25.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.194 -0.942 . . . . 0.0 110.882 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 8' ' ' LEU . 1.6 tp-100 -47.02 -66.76 0.36 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.875 -1.14 . . . . 0.0 110.005 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -45.01 -21.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.425 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 6' ' ' GLN . 2.6 tt -75.06 -50.16 17.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.85 -1.156 . . . . 0.0 108.499 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -57.64 -35.05 69.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.861 . . . . 0.0 109.319 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.91 -54.53 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -44.83 -48.16 11.03 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 120.041 -1.662 . . . . 0.0 110.978 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -57.92 -45.23 86.84 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.607 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -63.55 -48.45 77.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.687 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.41 -43.52 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.744 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -67.33 -34.73 77.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 109.653 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -59.29 -56.93 15.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -0.944 . . . . 0.0 109.914 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.62 68.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.598 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -56.52 19.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.92 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' B' ' 20' ' ' PHE . 4.1 p80 -65.4 -29.12 69.79 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.015 -1.053 . . . . 0.0 109.85 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.607 ' N ' ' ND1' ' B' ' 19' ' ' HIS . 83.9 t80 -58.51 -45.76 88.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.963 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.75 -37.54 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.69 67.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -81.98 -55.14 4.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.0 m -62.9 -34.56 77.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.024 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.75 -54.3 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.899 -1.125 . . . . 0.0 109.73 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -30.18 76.71 Favored Glycine 0 N--CA 1.502 3.045 0 C-N-CA 119.733 -1.222 . . . . 0.0 110.059 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -53.72 -41.2 66.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.534 -1.568 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.25 -48.09 54.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -52.58 -41.73 63.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.187 -0.945 . . . . 0.0 109.03 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -57.86 -35.48 71.0 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 mt -87.98 48.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.386 -0.821 . . . . 0.0 108.951 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -169.76 42.06 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.581 -0.699 . . . . 0.0 109.251 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.457 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 59.7 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.8 tt 84.17 -61.86 0.1 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.915 -0.491 . . . . 0.0 110.083 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.7 mt-10 -69.85 -43.15 19.95 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 120.482 -1.386 . . . . 0.0 109.992 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 68.1 Cg_endo -101.38 -7.01 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.202 2.601 . . . . 0.0 112.474 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -112.62 -37.86 4.78 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.421 -0.8 . . . . 0.0 110.723 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -47.63 -54.68 11.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.724 -1.235 . . . . 0.0 110.094 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.494 ' O ' ' OG ' ' C' ' 11' ' ' SER . 20.4 tt -51.74 -18.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.845 -0.535 . . . . 0.0 109.825 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -80.82 -51.81 8.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.155 -0.966 . . . . 0.0 108.75 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -59.59 -48.58 81.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.218 -0.926 . . . . 0.0 109.711 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' C' ' 10' ' ' ILE . 1.5 mp -66.3 -56.21 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.166 -0.959 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' C' ' 7' ' ' ILE . 75.1 m -41.06 -52.31 3.22 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 119.961 -1.712 . . . . 0.0 110.964 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -57.77 -40.64 80.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.63 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . 0.417 ' O ' ' OG ' ' C' ' 16' ' ' SER . 33.3 t80 -65.42 -50.02 67.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.321 -0.862 . . . . 0.0 109.855 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.98 -38.14 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.241 -0.912 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.49 -41.02 66.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.192 -0.943 . . . . 0.0 109.453 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' C' ' 13' ' ' PHE . 97.9 p -51.82 -49.47 62.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.105 -0.997 . . . . 0.0 110.003 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.64 84.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.166 -0.959 . . . . 0.0 109.776 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 19.3 tp -55.86 -50.02 71.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.66 -45.91 87.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.18 -0.95 . . . . 0.0 109.686 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -48.6 -53.33 18.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.925 . . . . 0.0 109.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.53 -59.86 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.138 -0.976 . . . . 0.0 109.496 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -77.36 -45.58 25.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -0.953 . . . . 0.0 109.764 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -59.29 -36.61 75.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.926 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.7 mp -83.33 -60.03 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.729 -1.232 . . . . 0.0 109.41 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.11 -34.94 32.63 Favored Glycine 0 N--CA 1.504 3.18 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.136 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -81.65 -58.61 2.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.547 -1.56 . . . . 0.0 109.318 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.86 -51.57 68.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' C' ' 29' ' ' ASN . 47.6 t-20 -52.46 -33.81 46.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -63.57 -55.76 21.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 109.612 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.6 tt -80.43 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.061 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -101.22 -44.34 5.7 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.159 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.513 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' D' ' 2' ' ' LEU . 0.0 OUTLIER -86.24 -90.31 0.11 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.07 -1.019 . . . . 0.0 109.727 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.501 ' H ' ' CD2' ' D' ' 2' ' ' LEU . 0.2 OUTLIER -173.39 -60.35 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 120.86 -1.15 . . . . 0.0 110.099 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.7 -58.91 0.16 Allowed 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.577 1.518 . . . . 0.0 112.269 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -69.72 -19.48 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 0.0 110.06 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -46.65 -74.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.372 1.082 . . . . 0.0 110.61 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -58.63 -19.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.608 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.26 -45.44 63.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -65.83 -47.96 73.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.736 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mt -63.74 -46.1 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.053 -1.03 . . . . 0.0 109.541 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -49.87 -49.69 48.47 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 119.925 -1.734 . . . . 0.0 111.003 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -60.79 -31.33 70.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 109.62 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -73.11 -53.58 10.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.501 -0.75 . . . . 0.0 109.957 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.92 -41.16 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.0 109.427 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.24 -46.14 68.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.128 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -45.42 -48.45 13.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.164 -0.96 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.84 74.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -51.14 -43.08 61.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -68.16 -30.92 70.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.9 -50.09 72.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.915 . . . . 0.0 109.808 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 16.5 pt -73.33 -31.52 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.162 -0.961 . . . . 0.0 109.749 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.83 74.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 0.0 109.667 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -77.89 -46.72 20.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -68.73 -32.74 72.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.111 -0.993 . . . . 0.0 110.162 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.69 -51.84 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.873 -1.142 . . . . 0.0 109.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.12 -32.47 76.62 Favored Glycine 0 N--CA 1.503 3.116 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.222 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.42 -48.69 18.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.52 -1.576 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.22 -39.83 73.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.523 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.82 -39.71 74.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -58.95 -44.37 91.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.0 109.264 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -93.51 56.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.26 -0.9 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -152.19 -23.02 0.18 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.379 -0.826 . . . . 0.0 109.335 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.361 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 10.1 ptt? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.2 tt 85.29 -58.15 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.902 -0.499 . . . . 0.0 109.917 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.3 mt-10 -71.8 -50.13 10.08 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 120.532 -1.355 . . . . 0.0 108.996 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.3 Cg_endo -94.02 -24.21 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.796 2.331 . . . . 0.0 111.82 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 5.8 t80 -84.75 -52.2 6.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.168 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -46.3 -48.6 18.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.98 -1.075 . . . . 0.0 110.627 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.81 -21.08 25.0 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 0 O-C-N 121.903 -0.498 . . . . 0.0 110.097 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.71 -38.43 58.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.012 -1.055 . . . . 0.0 108.863 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -66.39 -46.27 77.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.855 . . . . 0.0 109.423 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 mp -72.79 -20.9 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.0 109.077 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -81.08 -49.56 10.72 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.889 -1.757 . . . . 0.0 110.945 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -64.99 -26.99 68.53 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.063 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.68 -61.38 1.83 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 0.0 109.778 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -57.11 -31.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.86 -33.43 62.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 109.567 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m -61.98 -53.34 56.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.887 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.58 70.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.39 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.23 -41.08 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 109.083 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -71.96 -36.35 69.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -67.87 -54.53 18.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.188 -0.945 . . . . 0.0 109.673 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.8 tp -63.67 -36.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.186 -0.946 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.07 -34.41 78.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.865 . . . . 0.0 109.624 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -71.58 -44.34 64.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.349 -0.844 . . . . 0.0 109.562 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -61.77 -32.9 73.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.185 -0.947 . . . . 0.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 82.8 mt -85.41 -61.02 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.964 -1.085 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . -51.95 -35.85 41.22 Favored Glycine 0 N--CA 1.504 3.229 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.299 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.62 -48.8 13.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.413 -1.639 . . . . 0.0 109.661 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -68.44 -53.48 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 109.946 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 30' ' ' GLN . 39.4 p-10 -51.55 -29.4 16.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.962 -1.086 . . . . 0.0 109.878 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.536 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 64.9 tp60 -64.8 -53.48 46.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -85.8 53.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-O 121.995 0.902 . . . . 0.0 109.202 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -168.74 -53.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.025 -1.047 . . . . 0.0 109.636 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.474 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.481 ' H1 ' ' CD ' ' B' ' 4' ' ' PRO . 22.5 ttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.5 tt 83.07 -61.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.879 -0.513 . . . . 0.0 109.996 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.3 mt-10 -64.37 -50.09 68.67 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 120.374 -1.454 . . . . 0.0 109.375 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.481 ' CD ' ' H1 ' ' B' ' 1' ' ' MET . 32.6 Cg_endo -96.04 -25.44 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.784 2.323 . . . . 0.0 112.45 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.414 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 25.1 t80 -86.06 -44.17 12.51 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 110.857 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -45.92 -63.95 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.937 -1.102 . . . . 0.0 110.036 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.3 -21.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.832 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.33 -50.15 19.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.025 -1.047 . . . . 0.0 108.431 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -56.11 -33.48 65.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.317 -0.864 . . . . 0.0 109.302 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.69 -58.85 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.0 109.551 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.55 -40.17 3.83 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.292 -1.505 . . . . 0.0 110.953 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -63.22 -44.16 96.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.657 -1.277 . . . . 0.0 109.382 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.59 -47.57 69.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.36 -0.837 . . . . 0.0 109.582 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.413 HD13 HG23 ' B' ' 14' ' ' ILE . 97.6 mt -56.5 -40.83 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.928 . . . . 0.0 109.514 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.54 -45.13 60.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.278 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -48.29 -49.06 35.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.968 . . . . 0.0 109.86 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.82 -49.88 54.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.33 -51.13 48.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.246 -0.909 . . . . 0.0 109.174 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.72 -34.94 79.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.742 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.5 -44.29 96.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.481 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.06 -44.86 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 109.662 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.98 81.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.799 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -62.63 -44.08 97.2 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.205 -0.935 . . . . 0.0 109.586 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -62.19 -33.88 75.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.17 -58.29 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.954 -1.091 . . . . 0.0 110.197 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.22 70.82 Favored Glycine 0 N--CA 1.504 3.182 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.638 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -50.69 -47.49 58.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.317 -1.696 . . . . 0.0 109.375 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.3 mm? -63.92 -41.74 97.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.905 . . . . 0.0 109.252 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -52.1 -41.94 62.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.132 -0.98 . . . . 0.0 108.797 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.31 -38.32 88.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 21.3 mt -91.61 52.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.342 -0.849 . . . . 0.0 108.712 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -159.23 -60.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 0.0 109.366 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.547 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 19.6 ptt? . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.5 tt 83.31 -61.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.836 -0.54 . . . . 0.0 109.979 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.61 -52.11 28.28 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 120.554 -1.341 . . . . 0.0 109.252 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -92.25 -24.28 0.33 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.525 2.15 . . . . 0.0 112.297 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.436 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 17.2 t80 -86.33 -49.79 7.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 110.744 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -44.62 -55.31 5.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.005 -1.06 . . . . 0.0 110.753 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.54 -19.19 10.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.162 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tt -77.26 -52.21 9.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.041 -1.037 . . . . 0.0 108.97 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -60.79 -40.96 94.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.971 . . . . 0.0 109.697 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.52 -36.71 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.122 -0.986 . . . . 0.0 109.663 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -63.87 -41.81 97.66 Favored 'General case' 0 C--O 1.207 -1.179 0 O-C-N 119.918 -1.739 . . . . 0.0 110.968 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 -28.45 68.29 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.625 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -66.94 -59.03 3.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 0.0 110.023 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 14.2 tt -56.23 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.105 -0.997 . . . . 0.0 109.725 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.3 -42.47 62.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.345 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 61.6 m -50.91 -50.86 56.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.0 109.981 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.4 97.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.062 -1.024 . . . . 0.0 109.555 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.5 -39.62 70.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -65.03 -40.74 95.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.685 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.72 -54.65 42.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 109.869 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.02 -47.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.696 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.79 65.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 0.0 109.414 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -63.45 -45.79 89.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.334 -0.854 . . . . 0.0 109.499 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -67.26 -32.93 74.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.946 . . . . 0.0 109.91 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -75.51 -56.27 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 109.885 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.6 91.02 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 119.575 -1.298 . . . . 0.0 109.895 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.77 -36.81 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.507 -1.584 . . . . 0.0 109.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.56 -32.03 42.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -60.94 -38.92 87.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.031 -1.043 . . . . 0.0 110.521 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.47 -40.97 93.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.979 -1.076 . . . . 0.0 110.177 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 tp -92.41 48.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.927 -1.108 . . . . 0.0 109.0 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -103.36 -41.5 6.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.533 -0.729 . . . . 0.0 109.16 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.391 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.364 0.602 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 0.9 OUTLIER -89.24 -128.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.668 ' H ' ' CD ' ' D' ' 4' ' ' PRO . 1.2 tp10 -144.86 -45.66 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 120.395 -1.441 . . . . 0.0 108.482 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.668 ' CD ' ' H ' ' D' ' 3' ' ' GLU . 87.5 Cg_endo -98.16 -11.24 0.45 Allowed 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.803 2.336 . . . . 0.0 112.148 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -102.16 -57.85 1.99 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.321 -0.862 . . . . 0.0 110.154 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -47.41 -47.49 26.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.959 -1.088 . . . . 0.0 110.641 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 tp -68.13 -19.69 24.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-O 121.337 0.589 . . . . 0.0 109.783 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.86 -43.62 62.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.155 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -67.11 -50.25 62.12 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.42 HD13 HG23 ' D' ' 10' ' ' ILE . 95.9 mt -61.56 -34.16 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.116 -0.99 . . . . 0.0 109.812 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -72.24 -43.27 64.62 Favored 'General case' 0 C--O 1.202 -1.417 0 O-C-N 119.815 -1.803 . . . . 0.0 110.993 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -60.62 -30.8 70.07 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.539 -0.865 . . . . 0.0 108.796 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -68.41 -46.05 70.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.463 -0.773 . . . . 0.0 109.131 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 mm -59.4 -45.02 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.506 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -66.62 -35.93 81.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.904 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -58.31 -51.49 69.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.0 110.232 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.95 -27.72 66.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.972 -1.08 . . . . 0.0 109.964 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -52.74 60.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.697 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -63.38 -43.62 97.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 110.131 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -56.09 -47.64 77.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 110.184 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mm -69.97 -43.17 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 0.0 109.796 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.86 99.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.123 -0.986 . . . . 0.0 109.899 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -62.99 -43.87 97.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.178 -0.951 . . . . 0.0 109.678 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.8 m -61.87 -34.04 75.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.944 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.33 -60.15 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -37.32 73.55 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.17 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.23 -50.12 43.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.466 -1.608 . . . . 0.0 109.249 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.76 -36.8 85.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 0.0 109.227 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -56.9 -41.6 78.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.927 . . . . 0.0 109.495 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.91 -48.11 82.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 pt -90.1 54.57 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.248 -0.907 . . . . 0.0 109.014 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -115.58 -38.0 3.85 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.499 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 84.23 -62.03 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.884 -0.51 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.0 mm-40 -65.68 -49.04 62.67 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 120.469 -1.394 . . . . 0.0 109.282 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.4 Cg_endo -95.29 -27.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.936 2.424 . . . . 0.0 112.525 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 37.0 t80 -85.13 -44.71 12.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.199 -0.938 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 8' ' ' LEU . 65.8 tt0 -46.25 -65.82 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 110.09 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.47 -20.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.047 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' GLN . 3.0 tt -74.61 -51.37 14.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.956 -1.09 . . . . 0.0 108.39 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -58.76 -37.9 77.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.261 -0.9 . . . . 0.0 109.387 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.89 -57.77 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.256 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -43.29 -51.24 6.37 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 120.001 -1.687 . . . . 0.0 111.011 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -58.67 -38.53 78.38 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.312 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.29 -41.92 94.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.35 -50.35 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 109.304 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -40.16 95.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -48.25 -51.18 26.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.11 -0.993 . . . . 0.0 109.683 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.93 65.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.21 -0.931 . . . . 0.0 109.618 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -43.05 79.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.132 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -67.68 -36.51 80.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.713 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.38 -49.08 78.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.3 tt -77.66 -37.74 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.048 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.02 -44.48 76.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.122 -0.986 . . . . 0.0 109.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -64.87 -43.67 92.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.197 -0.94 . . . . 0.0 109.788 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -64.65 -35.75 82.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.87 -57.02 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.796 -1.19 . . . . 0.0 109.855 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -33.98 82.58 Favored Glycine 0 N--CA 1.503 3.112 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -77.79 -51.09 11.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.582 -1.54 . . . . 0.0 109.426 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.67 -42.57 95.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.286 -0.884 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.3 -38.97 81.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.969 . . . . 0.0 109.49 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -53.91 -50.38 66.53 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.918 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -91.03 57.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 0.0 109.139 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -168.79 -69.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.582 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.438 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.414 ' H1 ' ' CD ' ' B' ' 4' ' ' PRO . 16.5 ptt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.7 mt 67.73 -55.54 0.48 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.888 -0.507 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 0.6 OUTLIER -71.52 -49.9 11.05 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.528 -1.358 . . . . 0.0 109.598 -179.348 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' H1 ' ' B' ' 1' ' ' MET . 69.7 Cg_endo -103.6 -5.24 0.22 Allowed 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 123.183 2.589 . . . . 0.0 112.739 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -108.26 -68.48 0.9 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.267 -0.896 . . . . 0.0 111.415 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -45.88 -63.81 0.89 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.831 -1.168 . . . . 0.0 110.62 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -46.88 -22.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 121.172 0.51 . . . . 0.0 109.775 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.12 -48.06 25.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.035 -1.04 . . . . 0.0 108.503 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -56.06 -31.85 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 108.97 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 26.0 mm -66.05 -54.54 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -44.37 -48.96 9.8 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.353 -1.467 . . . . 0.0 110.936 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.0 t -62.05 -41.27 97.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.585 -1.322 . . . . 0.0 109.511 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.31 -49.29 77.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.353 -0.842 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.86 -38.12 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.868 . . . . 0.0 109.596 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.25 -45.45 63.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -47.14 -50.82 19.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.193 -0.942 . . . . 0.0 109.8 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.52 76.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.389 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -46.94 66.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 0.0 109.013 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -68.27 -36.31 79.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.99 -55.19 27.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.735 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.37 -35.49 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.58 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.19 71.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -65.34 -46.23 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -66.85 -34.45 77.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.021 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -76.44 -54.1 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.863 -1.148 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -33.92 87.32 Favored Glycine 0 N--CA 1.502 3.078 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.25 -46.05 61.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.548 -1.56 . . . . 0.0 109.076 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.48 -33.89 66.39 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.386 -0.821 . . . . 0.0 109.086 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.92 -36.61 79.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.212 -0.93 . . . . 0.0 109.416 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -57.8 -46.55 84.49 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.408 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -92.77 56.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-O 121.999 0.904 . . . . 0.0 108.936 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -159.88 -61.9 0.07 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.999 -1.063 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.471 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.63 -21.65 60.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.352 -0.842 . . . . 0.0 109.308 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.79 ' O ' ' N ' ' C' ' 5' ' ' PHE . 0.2 OUTLIER 76.74 160.22 0.15 Allowed Pre-proline 0 N--CA 1.504 2.26 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -178.092 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -9.07 54.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.485 1.008 1 C-N-CA 125.547 4.165 . . . . 0.0 114.587 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.79 ' N ' ' O ' ' C' ' 3' ' ' GLU . 2.6 t80 -163.17 -46.12 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . 0.723 HE21 ' H ' ' C' ' 3' ' ' GLU . 9.9 pt20 -56.2 -42.29 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.488 ' N ' ' CG ' ' C' ' 6' ' ' GLN . 8.1 tp -58.79 -22.1 20.41 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.063 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.0 -41.0 26.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.205 -0.934 . . . . 0.0 109.064 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -59.24 -51.42 70.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' C' ' 11' ' ' SER . 2.3 mp -69.47 -58.72 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.057 -1.027 . . . . 0.0 109.286 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.6 m -45.41 -49.87 12.89 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 119.914 -1.741 . . . . 0.0 110.971 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -58.91 -37.2 76.1 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.423 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -61.82 -45.48 93.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 109.551 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.04 -45.01 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 109.58 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.17 -36.04 78.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -56.5 -54.61 43.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.049 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -57.8 5.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.054 -1.029 . . . . 0.0 109.702 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.35 -33.71 6.11 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 109.519 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -69.69 -40.67 76.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.709 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -72.08 -51.2 22.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.833 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.413 HG21 HD13 ' C' ' 21' ' ' ILE . 30.2 mm -55.63 -47.91 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.09 74.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.643 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -71.48 -43.5 66.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.825 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 61.4 m -66.8 -32.97 74.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.251 -0.906 . . . . 0.0 110.132 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.4 HD11 HG23 ' C' ' 25' ' ' ILE . 85.9 mt -81.45 -55.19 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.888 -1.132 . . . . 0.0 110.023 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.81 92.0 Favored Glycine 0 N--CA 1.503 3.1 0 C-N-CA 119.597 -1.287 . . . . 0.0 109.964 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.08 -44.23 63.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.523 -1.575 . . . . 0.0 109.29 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.45 -35.78 78.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.46 -35.77 70.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.718 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.66 -51.81 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.947 . . . . 0.0 109.596 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.1 tt -84.49 50.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.0 109.09 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.81 -54.85 2.44 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.463 -0.773 . . . . 0.0 109.249 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.491 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' D' ' 2' ' ' LEU . 29.3 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.6 tt 83.17 -59.6 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.774 -0.579 . . . . 0.0 110.194 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.2 tt0 -67.7 -48.87 41.46 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 120.346 -1.471 . . . . 0.0 109.327 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 42.4 Cg_endo -95.98 -22.54 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.905 2.403 . . . . 0.0 112.652 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -90.92 -43.9 9.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.19 -0.944 . . . . 0.0 110.903 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -46.2 -52.09 13.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.857 -1.152 . . . . 0.0 110.429 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.12 -18.56 5.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.357 0.599 . . . . 0.0 109.496 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -78.5 -53.16 7.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.91 . . . . 0.0 108.786 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.0 p -56.86 -45.13 82.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 0.0 109.679 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' D' ' 11' ' ' SER . 96.2 mt -62.58 -51.5 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.162 -0.962 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.407 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.2 m -42.27 -52.71 4.38 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 120.061 -1.65 . . . . 0.0 110.961 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.491 ' HG ' ' N ' ' D' ' 13' ' ' PHE . 97.6 p -59.86 -42.34 93.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . 0.491 ' N ' ' HG ' ' D' ' 12' ' ' SER . 54.3 t80 -55.54 -36.38 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.331 -0.855 . . . . 0.0 109.556 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.61 -44.63 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.27 -29.65 62.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.194 -0.941 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.575 ' HG ' ' N ' ' D' ' 17' ' ' ALA . 65.5 p -64.36 -43.64 93.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . 0.575 ' N ' ' HG ' ' D' ' 16' ' ' SER . . . -77.61 -51.13 11.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.394 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -53.54 -37.95 63.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -69.73 -42.56 73.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -63.02 -57.0 12.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.123 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -59.85 -34.15 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.145 -0.972 . . . . 0.0 110.026 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.18 -22.4 52.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.886 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -80.79 -46.48 15.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.1 -1.0 . . . . 0.0 109.502 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' D' ' 25' ' ' ILE . 3.5 t -63.18 -47.64 81.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.925 . . . . 0.0 109.363 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG2' ' D' ' 24' ' ' THR . 96.7 mt -63.15 -57.62 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.842 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -27.17 67.47 Favored Glycine 0 N--CA 1.501 3.032 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -81.06 -55.88 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.764 -1.433 . . . . 0.0 109.316 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.51 -43.28 55.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.363 -0.835 . . . . 0.0 109.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -55.82 -34.92 65.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.932 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.52 -45.19 94.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.293 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 pt -91.27 54.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.195 -0.94 . . . . 0.0 109.456 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -156.81 -56.58 0.08 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.436 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 20.3 ptt? . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.4 tt 84.8 -59.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.875 -0.515 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.2 tt0 -73.05 -47.84 7.96 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 120.598 -1.314 . . . . 0.0 109.619 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -97.8 -16.16 0.26 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.091 2.527 . . . . 0.0 112.878 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -102.06 -62.45 1.26 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.203 -0.936 . . . . 0.0 111.27 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -53.9 -26.0 22.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.68 -1.262 . . . . 0.0 110.06 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 tt -72.2 -20.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -79.31 -47.05 16.52 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -57.18 -37.98 72.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -0.808 . . . . 0.0 109.718 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.08 -67.24 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 109.989 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.79 -43.78 8.87 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 120.086 -1.634 . . . . 0.0 110.967 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -61.36 -43.89 98.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.813 -1.18 . . . . 0.0 109.22 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.06 -50.13 74.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.45 -34.73 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -74.01 -43.94 56.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 0.0 109.42 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -50.23 -51.63 42.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.02 . . . . 0.0 109.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -42.03 94.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.02 -1.05 . . . . 0.0 109.578 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.2 tp -50.92 -45.03 60.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.24 -38.11 89.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.494 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.58 -52.76 64.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -70.93 -44.78 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.231 -0.918 . . . . 0.0 109.567 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.75 70.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.7 -43.36 66.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.288 -0.882 . . . . 0.0 109.547 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.4 m -66.17 -35.15 79.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 110.056 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.84 -55.52 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.881 -1.137 . . . . 0.0 109.747 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.28 83.96 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -75.2 -49.64 18.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.588 -1.536 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.23 -41.56 94.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -0.87 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -59.75 -36.46 76.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.152 -0.968 . . . . 0.0 109.525 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -57.85 -48.61 79.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -90.92 55.04 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.257 -0.902 . . . . 0.0 109.178 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -166.12 -69.83 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.479 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' NH2' HH21 ' B' ' 33' ' ' ARG . 74.2 ttt180 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.46 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.666 ' H1 ' HE21 ' B' ' 6' ' ' GLN . 54.9 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.526 ' N ' ' NE2' ' B' ' 6' ' ' GLN . 20.7 tp -78.01 -75.87 0.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.087 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.12 -51.79 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 120.577 -1.327 . . . . 0.0 110.861 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.91 -95.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.285 1.99 . . . . 0.0 113.252 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -74.91 -34.74 62.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.473 -0.767 . . . . 0.0 112.318 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.666 HE21 ' H1 ' ' B' ' 1' ' ' MET . 22.4 tt0 -54.36 -72.45 0.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.147 -1.596 . . . . 0.0 109.988 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -48.68 -20.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-O 121.225 0.536 . . . . 0.0 110.074 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -55.9 5.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.955 . . . . 0.0 109.46 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -57.1 -54.69 43.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 109.798 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' B' ' 10' ' ' ILE . 1.7 mp -54.15 -36.76 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 108.772 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -57.69 -43.14 84.88 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 120.039 -1.663 . . . . 0.0 110.928 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -61.27 -38.27 86.13 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.352 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -62.01 -49.12 77.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.574 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.1 mt -53.08 -50.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 109.373 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.72 -37.26 81.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.225 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.5 t -51.05 -42.22 60.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.0 65.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.207 -0.933 . . . . 0.0 109.32 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -46.86 86.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.966 . . . . 0.0 108.904 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -60.42 -42.67 96.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -69.61 -49.8 50.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.925 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.62 -41.27 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.181 -0.95 . . . . 0.0 109.58 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.35 76.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -68.25 -44.86 74.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.633 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -64.63 -33.59 76.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.989 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -80.68 -57.12 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.137 . . . . 0.0 110.118 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.53 ' O ' ' ND2' ' B' ' 29' ' ' ASN . . . -61.33 -34.47 88.32 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.388 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -76.98 -38.88 52.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.627 . . . . 0.0 110.334 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tt -47.79 -51.24 23.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.88 -1.138 . . . . 0.0 110.134 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 30' ' ' GLN . 19.6 p30 -55.68 -41.68 74.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.531 ' N ' ' OD1' ' B' ' 29' ' ' ASN . 66.9 mt-30 -55.11 -31.98 61.66 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 108.59 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -91.26 50.21 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 109.064 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -163.81 -74.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.499 -0.751 . . . . 0.0 109.44 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . 0.432 HH21 ' NH2' ' A' ' 33' ' ' ARG . 69.1 mtp85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 55.6 mmm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 32.6 mt 67.18 -56.19 0.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.82 -0.55 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.89 -52.43 24.7 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.533 -1.355 . . . . 0.0 109.331 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -103.01 -9.93 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' C' ' 8' ' ' LEU . 69.5 t80 -100.66 -69.87 0.76 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 111.321 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -46.13 -50.32 15.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.859 -1.151 . . . . 0.0 110.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -55.93 -23.02 14.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.66 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' C' ' 5' ' ' PHE . 3.4 tt -74.5 -44.92 49.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 108.732 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -59.5 -35.52 74.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.3 -0.875 . . . . 0.0 109.725 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.14 -55.35 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -0.975 . . . . 0.0 109.523 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -46.15 -45.93 16.94 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.048 -1.658 . . . . 0.0 110.959 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.64 -33.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.685 -1.26 . . . . 0.0 109.405 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.58 -40.06 84.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.438 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.82 -49.14 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.28 -24.82 67.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.12 -0.987 . . . . 0.0 109.087 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' C' ' 17' ' ' ALA . 10.1 p -65.18 -50.78 64.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 109.577 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . 0.591 ' H ' ' HG ' ' C' ' 16' ' ' SER . . . -69.5 -45.46 68.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.507 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.68 -39.78 89.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -64.51 -45.57 86.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -56.05 -49.98 72.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 0.0 110.016 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.68 -53.01 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.016 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.18 67.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.232 -0.918 . . . . 0.0 110.142 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -62.77 -44.4 96.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.793 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -65.29 -33.04 75.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.856 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 93.2 mt -76.04 -59.17 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.978 -1.076 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -35.61 92.32 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.101 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.25 -49.61 41.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.505 -1.586 . . . . 0.0 109.382 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.37 -35.81 80.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -60.41 -37.98 82.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.641 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -59.09 -45.91 89.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tp -93.4 56.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.224 -0.922 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -156.54 -60.55 0.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.949 -1.095 . . . . 0.0 109.333 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.524 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 0.3 OUTLIER -141.28 -100.53 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.257 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.562 ' H ' ' HG ' ' D' ' 2' ' ' LEU . 7.4 mt-10 -139.55 -65.66 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 120.737 -1.227 . . . . 0.0 109.936 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 33.3 Cg_endo -61.64 -23.52 76.5 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.3 2.0 . . . . 0.0 113.726 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -97.54 -63.13 1.16 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.719 -1.238 . . . . 0.0 111.04 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.94 -28.35 9.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.044 -1.035 . . . . 0.0 110.206 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 17.5 tt -72.86 -20.95 19.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.239 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' D' ' 12' ' ' SER . 3.9 tt -79.63 -48.58 13.51 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -56.3 -38.87 71.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' D' ' 11' ' ' SER . 93.3 mt -65.81 -64.5 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.665 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' D' ' 10' ' ' ILE . 97.5 p -44.41 -36.97 3.12 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.119 -1.613 . . . . 0.0 110.986 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' D' ' 8' ' ' LEU . 7.2 m -62.67 -41.99 99.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.068 -1.02 . . . . 0.0 109.075 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -59.23 -38.23 79.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.0 109.081 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -63.1 -37.86 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.231 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.702 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 -58.88 5.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.202 -0.936 . . . . 0.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.92 94.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.086 -1.009 . . . . 0.0 109.716 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.68 -44.51 96.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 0.0 109.383 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -67.09 -37.23 83.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.873 . . . . 0.0 109.709 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -59.35 -52.22 66.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 109.934 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.2 -43.86 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.0 109.883 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.3 93.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.158 -0.964 . . . . 0.0 109.941 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -66.87 -44.99 79.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.935 . . . . 0.0 109.892 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 51.5 m -60.79 -34.08 73.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 0.0 110.223 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.408 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.5 mt -78.37 -60.72 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.842 -1.161 . . . . 0.0 110.114 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.71 -36.22 91.27 Favored Glycine 0 N--CA 1.503 3.124 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.038 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.99 -49.43 57.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.528 -1.572 . . . . 0.0 109.143 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.34 -37.42 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.0 109.082 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.4 m120 -58.51 -37.78 76.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.2 -46.04 92.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.402 HG23 HD13 ' D' ' 31' ' ' ILE . 15.7 pt -88.92 51.54 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.189 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -108.86 -43.22 4.28 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.476 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 32.6 tpp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.5 tt 81.9 -59.82 0.21 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.774 -0.579 . . . . 0.0 110.217 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.4 mt-10 -67.81 -50.41 33.98 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 120.346 -1.471 . . . . 0.0 109.355 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 41.3 Cg_endo -94.54 -24.33 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.718 2.279 . . . . 0.0 112.254 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.425 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 27.0 t80 -86.5 -46.93 9.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.227 -0.921 . . . . 0.0 110.747 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -46.11 -51.0 14.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.85 -1.156 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -59.46 -17.05 11.74 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.149 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.1 -55.05 4.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.079 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 p -56.3 -42.74 78.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 0.0 109.45 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' SER . 96.2 mt -62.74 -54.08 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 0.0 109.285 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -42.05 -51.03 4.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 120.118 -1.614 . . . . 0.0 110.925 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -57.53 -40.81 79.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -0.858 . . . . 0.0 109.487 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.56 -39.73 73.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.0 109.69 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.03 -47.27 91.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 0.0 109.645 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.78 -42.66 77.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.264 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m -47.97 -46.94 33.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.122 -0.986 . . . . 0.0 109.761 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -48.88 68.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.279 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.59 -55.3 11.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 109.17 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -57.87 -39.04 76.87 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -57.58 -45.48 85.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.172 -0.955 . . . . 0.0 109.569 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.95 -47.58 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.973 . . . . 0.0 109.618 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.96 74.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.0 109.747 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -69.36 -44.94 70.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.219 -0.925 . . . . 0.0 109.476 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.95 -33.16 74.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.962 . . . . 0.0 109.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -76.22 -61.25 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.983 -1.073 . . . . 0.0 110.034 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.0 90.71 Favored Glycine 0 N--CA 1.503 3.149 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.238 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.93 -47.83 49.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.486 -1.597 . . . . 0.0 109.269 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.84 -38.62 91.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.322 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.72 -36.86 79.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.192 -0.943 . . . . 0.0 109.622 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.03 -45.49 68.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.196 -0.94 . . . . 0.0 109.189 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.96 58.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 122.277 1.037 . . . . 0.0 108.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -160.91 -62.68 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.676 -1.265 . . . . 0.0 109.549 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.441 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 42.3 ttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.2 tt 84.93 -57.78 0.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.925 -0.484 . . . . 0.0 110.117 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.8 tt0 -75.18 -46.66 4.62 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.588 -1.32 . . . . 0.0 109.403 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 51.8 Cg_endo -99.82 -13.66 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 123.137 2.558 . . . . 0.0 113.058 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -104.26 -61.46 1.44 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.106 -0.996 . . . . 0.0 111.014 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.87 -29.67 42.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.716 -1.24 . . . . 0.0 110.059 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 tt -70.15 -21.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.055 0 O-C-N 121.575 -0.703 . . . . 0.0 109.272 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.85 -47.8 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.6 p -57.31 -35.9 70.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.634 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.22 -63.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.127 -0.983 . . . . 0.0 109.71 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.79 -39.19 5.06 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 119.986 -1.696 . . . . 0.0 110.969 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -67.66 -42.15 82.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.145 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.16 -49.34 77.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.217 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.21 -35.46 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.264 -0.898 . . . . 0.0 109.34 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.61 -43.14 66.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.0 108.977 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -49.14 -52.89 23.52 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.169 -0.957 . . . . 0.0 109.809 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.23 88.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -47.32 44.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.969 . . . . 0.0 109.004 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -59.75 -42.18 92.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.251 -0.906 . . . . 0.0 109.72 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -59.85 -46.06 90.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.596 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.429 HG22 HD12 ' B' ' 21' ' ' ILE . 24.2 mm -69.83 -49.41 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 109.447 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.88 49.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.898 . . . . 0.0 109.757 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -76.21 -49.3 17.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.185 -0.947 . . . . 0.0 109.52 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.9 m -64.62 -31.62 72.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.423 ' O ' ' OD1' ' B' ' 29' ' ' ASN . 96.5 mt -72.55 -58.89 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.53 77.82 Favored Glycine 0 N--CA 1.503 3.162 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.176 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -70.27 -50.74 36.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.473 -1.604 . . . . 0.0 109.153 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.57 -42.16 70.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.318 -0.864 . . . . 0.0 109.311 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 25' ' ' ILE . 24.8 m120 -54.5 -48.65 71.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.188 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.92 -36.11 62.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 108.664 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.7 50.0 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -166.17 36.1 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.418 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' C' ' 3' ' ' GLU . 4.6 tp 71.01 -136.03 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.742 -0.599 . . . . 0.0 109.802 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' C' ' 5' ' ' PHE . 1.0 OUTLIER 50.36 -172.48 0.01 OUTLIER Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 120.273 -1.517 . . . . 0.0 107.825 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 76.8 Cg_exo -52.26 9.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.988 1.792 . . . . 0.0 113.185 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.581 ' H ' ' C ' ' C' ' 3' ' ' GLU . 36.5 t80 -97.01 -74.34 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.88 -1.137 . . . . 0.0 110.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -65.94 -39.21 90.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.542 -1.349 . . . . 0.0 110.019 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tp -60.05 -20.3 19.56 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.67 -43.4 18.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -57.18 -37.09 71.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 109.177 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.05 -64.21 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -47.66 -49.6 27.05 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.134 -1.604 . . . . 0.0 110.998 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.2 t -61.53 -43.66 98.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 109.687 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -51.93 -51.21 58.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.133 -0.979 . . . . 0.0 109.496 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . 0.404 HG22 HD13 ' C' ' 14' ' ' ILE . 71.1 mt -57.65 -37.33 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -41.13 75.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.155 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -52.36 -56.99 11.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.269 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.59 98.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.913 -1.117 . . . . 0.0 109.815 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.42 -39.41 60.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.205 -0.934 . . . . 0.0 109.346 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -69.93 -48.36 58.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.284 -0.885 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -63.01 -52.32 63.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.0 110.048 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.443 ' CG2' ' N ' ' C' ' 22' ' ' ALA . 0.2 OUTLIER -60.32 -44.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.982 -1.074 . . . . 0.0 108.912 -179.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' C' ' 21' ' ' ILE . . . -63.97 -35.28 80.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -63.43 -43.93 96.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.499 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 85.5 m -65.09 -31.83 73.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.42 HD13 HG23 ' C' ' 25' ' ' ILE . 97.6 mt -76.7 -59.72 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.72 -35.55 92.06 Favored Glycine 0 N--CA 1.502 3.065 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.484 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.349 -1.677 . . . . 0.0 109.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.77 -36.4 78.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.312 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -57.91 -37.01 73.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.0 109.683 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.16 -41.88 68.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.226 -0.921 . . . . 0.0 109.471 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt -91.06 53.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 CA-C-O 122.18 0.991 . . . . 0.0 109.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -152.42 -61.22 0.16 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.036 -1.04 . . . . 0.0 109.389 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.483 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.526 ' N ' ' OE1' ' D' ' 6' ' ' GLN . 94.5 mmm . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.167 0.508 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 2.6 mm? -83.62 -83.83 0.14 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.126 -0.984 . . . . 0.0 109.071 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.7 mt-10 172.87 -47.85 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 120.726 -1.234 . . . . 0.0 108.861 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 37.2 Cg_endo -94.8 -37.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 123.006 2.47 . . . . 0.0 112.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' D' ' 8' ' ' LEU . 52.5 t80 -89.14 -57.81 2.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.891 . . . . 0.0 110.497 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' D' ' 1' ' ' MET . 36.8 tp60 -49.57 -42.36 44.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 109.911 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.38 -20.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.3 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' D' ' 5' ' ' PHE . 5.0 tt -74.84 -51.85 12.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.929 . . . . 0.0 108.653 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 27.7 p -57.77 -37.57 73.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.338 -0.851 . . . . 0.0 110.163 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.14 -62.5 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.005 -1.059 . . . . 0.0 109.8 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -42.88 -47.06 5.54 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 119.931 -1.73 . . . . 0.0 110.962 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 21.3 p -61.41 -37.59 84.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.655 -1.278 . . . . 0.0 109.682 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.67 -42.46 92.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.587 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.44 -40.94 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 109.248 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.31 -44.66 71.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -48.62 -49.75 35.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.869 . . . . 0.0 110.061 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.92 81.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.095 -1.003 . . . . 0.0 109.738 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.89 -48.44 79.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.298 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.59 -36.83 85.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.24 -48.47 80.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.593 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.409 HD12 HG22 ' D' ' 21' ' ' ILE . 96.7 mt -77.03 -45.11 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 109.667 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.04 83.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.615 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.34 -43.46 90.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -60.69 -33.98 73.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.84 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.6 mt -78.89 -62.34 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 110.053 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.86 82.31 Favored Glycine 0 N--CA 1.503 3.126 0 C-N-CA 119.71 -1.233 . . . . 0.0 110.277 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -71.01 -52.47 19.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.47 -1.606 . . . . 0.0 109.322 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.21 -37.9 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.223 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 22.4 m120 -62.25 -38.75 90.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -57.66 -42.71 84.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 109.156 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -91.91 55.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -154.46 -54.15 0.1 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.796 . . . . 0.0 109.413 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.452 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 14.4 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.8 tt 84.31 -62.87 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.915 -0.491 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -63.52 -48.35 81.4 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.329 -1.482 . . . . 0.0 109.495 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 38.7 Cg_endo -96.04 -29.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.943 2.429 . . . . 0.0 112.785 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.42 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 47.2 t80 -83.82 -42.99 15.85 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.172 -0.955 . . . . 0.0 111.074 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.473 ' OE1' ' CG1' ' A' ' 10' ' ' ILE . 1.4 tm0? -45.99 -64.02 0.84 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 110.499 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -51.08 -21.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.12 -52.82 14.91 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.78 -1.2 . . . . 0.0 108.535 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -53.1 -37.81 62.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 109.115 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CG1' ' OE1' ' A' ' 6' ' ' GLN . 33.0 mm -58.22 -53.95 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.0 109.255 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.59 -47.0 10.31 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 120.377 -1.452 . . . . 0.0 110.999 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -61.13 -42.06 97.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.748 -1.22 . . . . 0.0 109.24 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.68 -50.53 70.79 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.376 -0.828 . . . . 0.0 109.454 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 HG22 HD13 ' A' ' 14' ' ' ILE . 85.7 mt -59.97 -38.71 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.333 -0.854 . . . . 0.0 109.648 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.47 -48.6 48.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -45.91 -46.24 15.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.75 70.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 109.45 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -54.19 -48.57 70.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.88 -33.41 74.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.351 -0.843 . . . . 0.0 109.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.02 -51.68 68.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.205 -0.934 . . . . 0.0 109.694 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -75.66 -44.96 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.761 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.78 85.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -64.79 -43.49 93.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.906 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.8 m -65.3 -34.21 77.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.843 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -79.8 -57.8 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.938 -1.101 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.73 -34.3 86.13 Favored Glycine 0 N--CA 1.503 3.134 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.246 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -76.57 -49.65 15.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.537 -1.566 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.6 -41.46 96.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' ND2' ' NE2' ' B' ' 30' ' ' GLN . 60.3 t-20 -58.11 -37.81 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.19 -49.66 73.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.261 -0.899 . . . . 0.0 109.451 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -90.79 56.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.218 -0.926 . . . . 0.0 109.037 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 33' ' ' ARG . 56.9 tttp -158.05 -68.93 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.059 -1.026 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 32' ' ' LYS . 52.9 ttp180 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.484 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.58 ' H3 ' HE21 ' B' ' 6' ' ' GLN . 27.9 tpp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' B' ' 3' ' ' GLU . 57.4 tp -50.96 -78.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 0.0 108.823 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 2' ' ' LEU . 1.7 tt0 167.82 -49.09 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.655 -1.278 . . . . 0.0 110.802 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -92.57 -52.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 122.325 2.017 . . . . 0.0 114.009 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -105.77 -46.21 4.2 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.237 -0.914 . . . . 0.0 111.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.58 HE21 ' H3 ' ' B' ' 1' ' ' MET . 33.4 tt0 -56.3 -22.26 29.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.863 -1.148 . . . . 0.0 110.135 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 tt -73.59 -20.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.327 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.68 -47.45 9.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.86 . . . . 0.0 108.794 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -54.8 -50.16 69.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.966 . . . . 0.0 109.287 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' B' ' 11' ' ' SER . 94.2 mt -68.18 -58.44 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.938 . . . . 0.0 109.55 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.2 m -40.63 -50.27 3.02 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 120.053 -1.654 . . . . 0.0 110.956 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -58.01 -41.06 82.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.197 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -54.25 -43.6 71.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -61.14 -44.79 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.469 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.8 -37.07 83.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.0 109.459 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.1 t -55.29 -56.16 23.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.0 109.714 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.35 64.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.101 -1.0 . . . . 0.0 109.498 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -46.13 25.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 109.156 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -63.94 -48.76 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -53.84 -49.93 67.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 23' ' ' TRP . 30.6 mm -68.46 -62.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.8 -21.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.42 -0.8 . . . . 0.0 110.438 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.466 ' N ' ' O ' ' B' ' 21' ' ' ILE . 40.4 t-105 -84.09 -48.03 10.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.043 -1.035 . . . . 0.0 109.779 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 59.6 m -65.72 -35.33 80.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.593 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' B' ' 25' ' ' ILE . 1.5 mp -80.41 -49.66 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.71 -1.244 . . . . 0.0 109.805 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.97 -29.66 74.93 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.791 -1.195 . . . . 0.0 110.455 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -58.32 -36.07 72.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.443 -1.622 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.95 -37.04 70.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.42 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.605 ' N ' HD21 ' B' ' 29' ' ' ASN . 1.5 m120 -52.61 -48.13 66.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.415 ' NE2' ' ND2' ' A' ' 29' ' ' ASN . 60.5 tt0 -56.89 -34.38 67.83 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 108.831 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mt -88.98 46.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 108.99 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -100.19 -43.85 6.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.629 -0.669 . . . . 0.0 109.342 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.536 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 24.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.7 tt 83.26 -61.41 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.785 -0.572 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.4 tt0 -70.59 -47.31 17.81 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.124 -1.61 . . . . 0.0 109.744 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 43.0 Cg_endo -96.77 -23.07 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.983 2.455 . . . . 0.0 113.187 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -94.31 -65.75 0.96 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.071 -1.018 . . . . 0.0 111.289 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -48.28 -31.31 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.642 -1.287 . . . . 0.0 110.673 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -69.02 -25.05 29.04 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.026 0 O-C-N 121.314 -0.866 . . . . 0.0 109.306 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -75.06 -38.99 61.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -57.7 -44.52 85.92 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.563 -0.711 . . . . 0.0 109.616 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' C' ' 11' ' ' SER . 77.3 mt -63.71 -56.24 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.178 -0.951 . . . . 0.0 109.536 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' C' ' 10' ' ' ILE . 75.5 m -43.52 -47.22 7.24 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 119.987 -1.696 . . . . 0.0 110.988 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -40.71 87.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 109.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.84 -44.91 95.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.438 -0.789 . . . . 0.0 109.799 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.89 -42.26 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.877 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -70.08 -34.94 73.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.713 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.534 ' HG ' ' N ' ' C' ' 17' ' ' ALA . 10.4 p -61.55 -57.18 13.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 109.948 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . 0.534 ' N ' ' HG ' ' C' ' 16' ' ' SER . . . -64.42 -50.63 66.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.927 . . . . 0.0 109.439 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -48.43 -44.43 35.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.242 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.06 -34.74 71.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.23 -0.919 . . . . 0.0 109.464 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.27 -54.91 25.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.908 . . . . 0.0 109.934 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 16.4 tt -66.68 -35.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 109.893 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.88 -40.58 91.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.07 -43.37 95.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.267 -0.896 . . . . 0.0 109.634 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -64.21 -35.34 80.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.271 -0.893 . . . . 0.0 110.055 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 88.1 mt -79.67 -57.07 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.785 -1.197 . . . . 0.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -35.25 85.88 Favored Glycine 0 N--CA 1.503 3.15 0 C-N-CA 119.611 -1.281 . . . . 0.0 109.975 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.74 -48.49 38.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.564 -1.55 . . . . 0.0 109.229 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.04 -36.69 80.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.112 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -57.06 -40.58 77.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.569 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.85 -50.39 72.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.212 -0.93 . . . . 0.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 tp -90.28 56.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 109.099 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -152.6 -34.8 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.102 -0.999 . . . . 0.0 109.224 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.529 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' D' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.7 tt 85.23 -59.52 0.08 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 122.014 -0.428 . . . . 0.0 110.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 0.6 OUTLIER -70.19 -49.63 17.58 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.619 -1.3 . . . . 0.0 109.326 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 38.0 Cg_endo -94.14 -23.19 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.754 2.303 . . . . 0.0 112.232 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . 0.415 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 29.6 t80 -89.42 -48.11 7.55 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -45.97 -52.1 12.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.801 -1.187 . . . . 0.0 110.424 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.27 -17.47 6.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 121.233 0.539 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -82.43 -55.26 4.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 0.0 109.221 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p -54.72 -45.22 74.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.394 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' D' ' 11' ' ' SER . 79.1 mt -61.42 -49.65 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.211 -0.931 . . . . 0.0 109.141 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.1 m -41.96 -55.17 3.23 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 120.132 -1.605 . . . . 0.0 110.988 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -54.41 -44.03 72.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.504 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.43 -46.64 76.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -0.875 . . . . 0.0 109.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.16 -41.79 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.77 -32.39 72.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.33 -0.856 . . . . 0.0 109.581 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' D' ' 17' ' ' ALA . 24.0 p -61.91 -57.11 13.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 109.855 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . 0.686 ' H ' ' HG ' ' D' ' 16' ' ' SER . . . -61.47 -49.04 78.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.122 -0.986 . . . . 0.0 109.514 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 tp -51.66 -47.14 63.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.892 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -72.36 -32.41 66.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -58.23 -48.83 79.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -76.39 -49.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.947 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.23 72.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.992 . . . . 0.0 109.734 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.42 -43.73 92.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.437 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.9 m -64.46 -34.25 77.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 0.0 109.927 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -58.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.884 -1.135 . . . . 0.0 109.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.3 87.43 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.722 -1.227 . . . . 0.0 110.286 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.48 -53.12 9.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.437 -1.625 . . . . 0.0 109.506 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.67 -44.34 96.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.0 109.428 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -54.71 -39.04 67.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 109.391 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.86 -46.8 84.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.0 109.272 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -90.73 55.56 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.343 -0.848 . . . . 0.0 109.287 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -163.39 -49.36 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.266 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' GLU . 60.7 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.0 mt 62.41 -63.03 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.764 -0.585 . . . . 0.0 111.554 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -60.73 -54.01 58.77 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.462 -1.399 . . . . 0.0 109.883 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -101.85 -8.56 0.24 Allowed 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 122.588 2.192 . . . . 0.0 112.922 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -100.83 -64.62 1.03 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.067 -1.02 . . . . 0.0 110.926 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.411 ' OE1' ' OG ' ' A' ' 9' ' ' SER . 5.5 tp-100 -46.82 -62.73 1.26 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.871 -1.143 . . . . 0.0 110.015 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 tt -47.77 -21.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.057 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.84 -54.89 7.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.897 -1.127 . . . . 0.0 108.289 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 6' ' ' GLN . 88.1 p -51.14 -34.56 31.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.349 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.42 -59.83 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.164 -0.96 . . . . 0.0 109.444 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -44.52 -34.58 2.15 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.219 -1.551 . . . . 0.0 110.975 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -68.74 -42.65 77.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.585 -1.322 . . . . 0.0 109.685 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -63.39 -52.63 60.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.302 -0.874 . . . . 0.0 109.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.3 -39.07 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.477 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.79 -45.95 59.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.445 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.7 p -48.78 -48.0 41.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.274 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.69 52.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.973 -1.079 . . . . 0.0 109.779 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.76 -43.5 69.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.928 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -69.53 -32.68 71.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.39 -51.09 67.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 0.0 109.5 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.18 -49.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.823 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.47 67.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.17 -0.956 . . . . 0.0 109.69 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.72 -42.5 70.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -63.87 -35.65 81.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.07 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.5 mt -81.18 -56.93 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.75 -1.219 . . . . 0.0 109.986 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.1 78.52 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.592 -1.289 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -77.21 -54.74 6.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.523 -1.575 . . . . 0.0 109.228 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.52 -49.47 77.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -0.873 . . . . 0.0 109.126 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -54.11 -35.89 62.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.71 -55.41 30.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.0 109.59 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.7 tt -80.71 49.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.136 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -103.66 -51.24 3.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 109.374 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.491 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' B' ' 2' ' ' LEU . 2.5 mm? -89.16 -88.32 0.16 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.093 -1.004 . . . . 0.0 109.046 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.4 mt-10 174.33 -46.63 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 120.665 -1.272 . . . . 0.0 108.76 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 41.7 Cg_endo -94.52 -35.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 123.057 2.505 . . . . 0.0 112.973 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 8' ' ' LEU . 79.1 t80 -93.02 -58.59 2.28 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.628 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.469 ' OE1' ' CD1' ' B' ' 10' ' ' ILE . 1.4 tm0? -49.8 -42.0 45.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 109.957 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.4 tt -61.59 -21.2 24.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' B' ' 5' ' ' PHE . 2.8 tt -76.04 -43.16 45.28 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -56.67 -52.81 63.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.316 -0.865 . . . . 0.0 109.67 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.469 ' CD1' ' OE1' ' B' ' 6' ' ' GLN . 96.7 mt -56.7 -55.16 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.082 -1.011 . . . . 0.0 109.478 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.3 m -41.16 -45.87 2.91 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 120.086 -1.634 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -60.92 -44.47 97.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -54.59 -43.46 72.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.46 -47.74 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.274 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.51 -33.09 74.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -58.72 -56.67 19.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.0 109.727 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.19 72.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.129 -0.982 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.88 -51.29 30.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.034 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' C ' ' B' ' 19' ' ' HIS . 10.5 t-80 -64.95 -40.75 95.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -0.924 . . . . 0.0 109.761 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.24 -49.74 76.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.102 -0.999 . . . . 0.0 109.667 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -71.44 -44.49 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.06 -1.025 . . . . 0.0 109.393 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.32 86.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.202 -0.936 . . . . 0.0 109.61 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -67.21 -44.37 79.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.206 -0.934 . . . . 0.0 109.189 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 40.0 m -63.09 -34.29 77.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.579 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.06 -61.3 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.08 -36.55 74.91 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.403 ' NE2' ' OE1' ' B' ' 30' ' ' GLN . 11.9 t-160 -65.76 -33.14 75.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.546 -1.561 . . . . 0.0 109.048 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -48.03 31.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.415 -0.803 . . . . 0.0 109.105 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -49.51 -46.28 48.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 0.0 109.244 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . 0.403 ' OE1' ' NE2' ' B' ' 27' ' ' HIS . 42.3 tt0 -55.24 -35.94 65.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.237 -0.914 . . . . 0.0 108.654 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -92.51 52.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.44 -0.788 . . . . 0.0 108.945 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -157.65 -64.82 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.493 -0.754 . . . . 0.0 109.417 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.486 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 42.1 mt 67.52 -52.84 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.826 -0.546 . . . . 0.0 111.097 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 2.6 tt0 -67.76 -50.3 34.9 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 120.401 -1.437 . . . . 0.0 108.734 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 50.4 Cg_endo -103.79 -4.94 0.22 Allowed 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 123.236 2.624 . . . . 0.0 112.621 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.404 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 28.9 t80 -108.08 -64.21 1.24 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.278 -0.889 . . . . 0.0 111.121 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -52.94 -28.47 23.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.625 -1.297 . . . . 0.0 109.592 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -71.61 -19.42 20.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 tt -81.92 -49.49 10.25 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t -55.68 -41.64 74.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.85 . . . . 0.0 109.128 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' C' ' 11' ' ' SER . 84.9 mt -71.58 -52.87 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.322 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.9 m -43.37 -50.2 6.84 Favored 'General case' 0 C--O 1.205 -1.279 0 O-C-N 120.1 -1.625 . . . . 0.0 111.006 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -59.69 -44.74 93.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.657 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.35 -52.81 42.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.907 . . . . 0.0 109.516 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.5 mt -53.83 -45.03 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.541 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.88 -39.02 90.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -51.21 -47.69 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.006 . . . . 0.0 109.74 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.35 78.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.108 -0.995 . . . . 0.0 109.402 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.3 -42.36 77.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.245 -0.91 . . . . 0.0 109.037 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.66 -45.67 93.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.641 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -56.81 -55.42 34.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.43 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.0 -59.73 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.26 -0.9 . . . . 0.0 109.245 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.93 -28.46 1.13 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.972 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -71.93 -44.11 64.16 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.158 -0.964 . . . . 0.0 109.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -63.42 -36.02 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 110.063 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' C' ' 25' ' ' ILE . 1.8 mp -79.64 -57.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.831 -1.168 . . . . 0.0 109.401 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.51 71.81 Favored Glycine 0 N--CA 1.503 3.163 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.195 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.37 -49.45 16.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.528 -1.572 . . . . 0.0 109.531 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.5 -38.94 93.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.47 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . 0.532 ' ND2' ' NE2' ' D' ' 30' ' ' GLN . 51.7 t-20 -50.45 -38.84 45.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -55.32 -48.73 73.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.85 58.23 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-O 122.231 1.015 . . . . 0.0 108.486 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -160.75 -74.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.781 -1.199 . . . . 0.0 109.463 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.498 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.557 ' N ' ' CD2' ' D' ' 2' ' ' LEU . 1.3 mm? -83.48 -61.41 1.85 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' D' ' 5' ' ' PHE . 18.8 pt-20 -169.62 -173.67 0.28 Allowed Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -46.01 -5.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.475 1.45 . . . . 0.0 113.145 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' D' ' 3' ' ' GLU . 54.5 t80 -86.56 -65.23 1.04 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.94 -1.1 . . . . 0.0 109.276 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -50.48 -56.1 13.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.068 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.8 -34.26 30.39 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.779 -1.2 . . . . 0.0 109.512 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -63.26 -46.37 87.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.463 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.92 -49.79 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.053 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -44.55 -49.01 10.29 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 119.74 -1.85 . . . . 0.0 110.986 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -65.69 -42.51 91.13 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.791 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -53.12 -49.6 66.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 110.193 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 29.7 pt -66.23 -31.82 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.93 -1.106 . . . . 0.0 109.64 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.56 -35.83 65.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -62.34 -60.54 3.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.275 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.54 76.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.563 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 39.1 tp -57.18 -35.32 69.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.176 -0.953 . . . . 0.0 109.216 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -77.89 -35.92 50.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.19 -0.944 . . . . 0.0 109.595 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.99 -46.15 75.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' D' ' 22' ' ' ALA . 21.1 tt -71.42 -39.79 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.965 . . . . 0.0 109.893 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' D' ' 21' ' ' ILE . . . -68.42 -41.82 79.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.182 -0.948 . . . . 0.0 109.803 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -62.78 -45.26 93.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.129 -0.982 . . . . 0.0 109.682 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -63.75 -33.38 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 110.079 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.9 mt -81.35 -57.59 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.925 -1.109 . . . . 0.0 109.995 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.05 -35.7 91.16 Favored Glycine 0 N--CA 1.504 3.232 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.371 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -71.3 -47.53 56.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.436 -1.626 . . . . 0.0 109.072 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -39.17 87.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.247 -0.908 . . . . 0.0 108.853 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.8 m120 -57.98 -38.86 76.86 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.319 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . 0.532 ' NE2' ' ND2' ' C' ' 29' ' ' ASN . 54.5 tt0 -59.93 -42.77 94.68 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.223 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -94.65 56.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -155.61 -55.38 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.41 -0.806 . . . . 0.0 109.38 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.356 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 23.0 ttt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 80.43 -61.28 0.26 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.735 -0.603 . . . . 0.0 110.171 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -51.14 70.15 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 120.405 -1.434 . . . . 0.0 109.321 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -95.66 -28.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.624 2.216 . . . . 0.0 112.595 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.407 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 44.6 t80 -81.47 -43.81 18.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.186 -0.946 . . . . 0.0 110.958 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' LEU . 47.9 tt0 -45.99 -65.06 0.6 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.86 -1.15 . . . . 0.0 110.086 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tp -44.98 -22.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.0 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' GLN . 1.5 tt -74.75 -41.71 59.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.942 -1.099 . . . . 0.0 108.403 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.0 p -62.45 -39.02 92.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.5 mp -62.29 -59.31 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -43.72 -42.19 5.27 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 120.143 -1.598 . . . . 0.0 111.009 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -70.7 -45.16 65.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.679 -1.263 . . . . 0.0 109.393 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.67 -46.2 89.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.617 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.74 -41.04 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.234 -0.916 . . . . 0.0 109.622 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.68 -39.9 66.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 m -53.59 -45.99 70.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.063 -1.023 . . . . 0.0 109.956 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -49.02 50.17 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 109.596 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.68 -38.2 69.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.48 -40.33 92.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.934 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.44 -52.52 64.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.112 -0.993 . . . . 0.0 109.823 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.08 -39.18 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.96 85.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 109.76 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -66.87 -44.74 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 m -65.11 -33.99 77.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.97 -57.74 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.948 -1.095 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.67 -34.33 89.3 Favored Glycine 0 N--CA 1.503 3.148 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.247 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.48 -49.61 31.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.472 -1.605 . . . . 0.0 109.354 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.31 -35.49 62.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.24 -33.77 69.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.223 -0.923 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.74 -47.96 83.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.49 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -91.53 55.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.189 -0.944 . . . . 0.0 109.135 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -157.14 -76.0 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.037 -1.039 . . . . 0.0 109.289 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.455 179.827 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 27.1 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' B' ' 1' ' ' MET . 3.1 tt 81.86 -59.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.839 -0.538 . . . . 0.0 110.126 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.7 tt0 -68.15 -48.58 37.22 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 120.44 -1.413 . . . . 0.0 109.49 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 42.4 Cg_endo -98.07 -15.34 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.946 2.431 . . . . 0.0 112.587 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -99.13 -40.82 7.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.777 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -46.32 -67.18 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.596 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.1 tt -58.45 -19.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.236 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -54.68 9.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 108.925 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -59.51 -31.34 69.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.32 -59.89 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -44.85 -49.3 10.94 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 120.42 -1.425 . . . . 0.0 110.965 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -64.32 -40.94 96.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.868 -1.145 . . . . 0.0 109.478 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.91 -43.83 91.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.656 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.416 HD12 HG23 ' B' ' 14' ' ' ILE . 94.2 mt -60.05 -52.13 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.454 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.82 -44.65 96.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.064 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -45.99 -57.12 4.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.79 93.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.175 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -53.97 21.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.03 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -36.94 76.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.72 -48.75 79.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 109.565 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.75 -43.77 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.18 98.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.712 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -63.28 -45.48 91.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 0.0 109.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -63.15 -33.94 76.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -0.931 . . . . 0.0 109.842 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.23 -58.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.92 -1.113 . . . . 0.0 110.057 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.54 76.94 Favored Glycine 0 N--CA 1.503 3.121 0 C-N-CA 119.88 -1.153 . . . . 0.0 110.504 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -54.21 -38.93 66.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.405 -1.644 . . . . 0.0 109.512 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 mt -52.27 -42.62 63.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.147 -0.971 . . . . 0.0 109.666 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -49.87 -44.2 49.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.139 -0.976 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -57.84 -34.59 69.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.924 . . . . 0.0 108.699 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -91.29 49.85 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 109.024 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -170.81 39.37 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.438 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.427 ' H3 ' ' H ' ' C' ' 2' ' ' LEU . 13.1 mmt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.604 ' H ' ' CD2' ' C' ' 2' ' ' LEU . 0.9 OUTLIER -74.45 -130.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.681 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 1.3 mt-10 -141.24 -42.64 0.02 OUTLIER Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 120.341 -1.474 . . . . 0.0 109.615 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.681 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 77.6 Cg_endo -99.68 -7.41 0.47 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.856 2.37 . . . . 0.0 111.904 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -106.16 -63.03 1.3 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.436 -0.79 . . . . 0.0 111.0 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . 0.58 HE22 ' C ' ' C' ' 3' ' ' GLU . 1.5 pm0 -52.07 -26.81 11.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.912 -1.118 . . . . 0.0 109.836 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.557 ' H ' ' NE2' ' C' ' 6' ' ' GLN . 8.2 tp -72.04 -23.36 21.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -74.0 -43.25 58.69 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -69.54 -52.05 29.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.429 -0.794 . . . . 0.0 109.453 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.5 mt -53.62 -39.74 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -67.71 -44.73 76.99 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 119.969 -1.707 . . . . 0.0 111.008 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -62.45 -24.32 67.37 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.364 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -76.96 -63.78 1.28 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.766 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.88 -32.81 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 0.0 109.685 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.56 -38.64 59.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -0.92 . . . . 0.0 109.505 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -55.69 -54.63 41.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 0.0 109.954 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.95 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.113 -0.992 . . . . 0.0 109.619 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 tp -48.26 -46.22 35.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.0 109.665 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.63 -33.96 76.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.0 110.163 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.58 -48.95 79.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 pt -72.49 -31.49 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.108 -0.995 . . . . 0.0 110.143 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . 0.425 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -73.05 -25.07 60.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.034 -1.041 . . . . 0.0 109.603 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -77.42 -47.97 18.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.295 -0.878 . . . . 0.0 109.697 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -67.41 -33.28 74.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.854 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.41 -54.58 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.894 -1.129 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.44 86.49 Favored Glycine 0 N--CA 1.502 3.046 0 C-N-CA 119.605 -1.283 . . . . 0.0 109.933 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -76.12 -48.79 19.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.582 -1.54 . . . . 0.0 109.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.77 -41.99 91.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.17 -37.67 75.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.55 -50.43 73.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 109.533 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 tp -90.01 56.08 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.23 -0.919 . . . . 0.0 109.241 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -154.73 -28.97 0.11 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.99 -1.069 . . . . 0.0 109.556 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.458 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.529 ' O ' ' CB ' ' D' ' 2' ' ' LEU . 58.2 mtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.0 tt 87.7 -65.14 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 122.011 -0.431 . . . . 0.0 110.997 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.5 mt-10 -72.11 -42.85 9.91 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.233 -1.542 . . . . 0.0 110.021 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 50.2 Cg_endo -100.53 -12.84 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.269 2.646 . . . . 0.0 113.026 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -106.83 -60.02 1.73 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.211 -0.931 . . . . 0.0 111.235 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -54.74 -27.74 43.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.648 -1.282 . . . . 0.0 110.297 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -71.98 -20.54 20.38 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -80.97 -51.9 8.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.2 t -57.23 -53.03 62.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.312 -0.868 . . . . 0.0 109.687 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.46 -53.94 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.97 . . . . 0.0 109.672 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.32 -43.83 11.08 Favored 'General case' 0 C--O 1.208 -1.097 0 O-C-N 119.877 -1.765 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -62.68 -46.79 86.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.45 -0.782 . . . . 0.0 109.839 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.73 -48.17 80.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 109.535 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.26 -45.05 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 0.0 109.736 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -41.89 83.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.201 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -47.79 -49.86 27.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.973 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.67 -52.32 52.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.74 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.89 -49.75 62.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.897 . . . . 0.0 109.517 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -63.33 -38.25 90.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 0.0 109.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.91 -50.58 72.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.63 -40.55 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.205 -0.934 . . . . 0.0 109.968 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.4 70.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.0 109.997 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . 0.425 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 45.6 t-105 -78.76 -44.72 22.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.572 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -63.01 -33.74 76.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.85 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.17 -60.85 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.889 -1.132 . . . . 0.0 110.017 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -34.22 87.06 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.737 -1.221 . . . . 0.0 110.165 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.23 -50.02 30.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.483 -1.598 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.03 -44.13 93.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -54.07 -41.6 68.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -56.21 -44.99 80.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.212 -0.93 . . . . 0.0 109.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -93.56 56.96 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.207 -0.933 . . . . 0.0 109.574 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -157.6 -65.17 0.09 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.373 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.325 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.1 mm? -67.94 -88.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.013 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.68 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 9.0 pt-20 177.57 -24.13 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.111 -0.993 . . . . 0.0 111.93 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.68 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -97.19 -54.88 0.01 OUTLIER 'Trans proline' 0 N--CA 1.483 0.863 0 C-N-CA 121.64 1.56 . . . . 0.0 112.918 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -119.1 -46.37 2.52 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.952 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.61 -22.15 43.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.742 -1.224 . . . . 0.0 110.206 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.28 -20.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 O-C-N 121.505 -0.747 . . . . 0.0 109.396 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.53 -48.53 9.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 108.7 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -49.08 71.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' SER . 62.5 mt -72.76 -55.14 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.711 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' ILE . 71.0 m -43.08 -49.85 6.18 Favored 'General case' 0 C--O 1.207 -1.174 0 O-C-N 119.938 -1.726 . . . . 0.0 110.995 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -63.58 -43.21 97.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.397 -0.814 . . . . 0.0 109.839 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -58.04 -48.28 80.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.803 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.44 -42.04 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.452 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.52 -38.19 71.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 109.091 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 m -51.2 -42.94 61.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.178 -0.951 . . . . 0.0 109.777 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.67 59.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.119 -0.988 . . . . 0.0 109.579 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.6 -42.2 78.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.507 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -67.83 -36.47 80.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 109.792 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.47 -48.82 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.787 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.07 -41.16 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 109.807 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.94 79.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.685 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -74.04 -43.93 56.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -64.36 -36.6 84.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 110.128 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.99 -55.74 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.774 -1.204 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.42 86.55 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -72.73 -45.45 58.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.563 -1.551 . . . . 0.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.82 -31.98 65.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.395 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.19 -39.63 93.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 109.618 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -55.86 -45.46 78.48 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 109.494 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -93.63 55.92 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.161 -0.962 . . . . 0.0 108.799 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 33' ' ' ARG . 47.9 tttp -157.01 -73.32 0.1 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.327 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 32' ' ' LYS . 55.5 ttt85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.507 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 61.3 mtt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.9 tt 81.99 -60.55 0.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.895 -0.503 . . . . 0.0 110.086 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.3 mt-10 -65.14 -50.54 60.24 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 120.453 -1.404 . . . . 0.0 109.185 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 31.7 Cg_endo -95.55 -27.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.805 2.337 . . . . 0.0 112.575 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.404 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 25.7 t80 -83.2 -44.51 14.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.202 -0.936 . . . . 0.0 110.97 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -45.44 -63.98 0.83 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.963 -1.085 . . . . 0.0 110.249 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -46.99 -22.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.044 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.71 -43.42 55.18 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.013 -1.055 . . . . 0.0 108.577 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -60.34 -41.5 93.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.314 -0.866 . . . . 0.0 109.689 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' B' ' 11' ' ' SER . 1.9 mp -61.0 -59.58 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.083 -1.01 . . . . 0.0 109.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.6 m -43.64 -39.79 3.77 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.045 -1.659 . . . . 0.0 110.977 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -60.54 -42.75 97.16 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.815 -1.178 . . . . 0.0 109.14 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -62.57 -38.02 88.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 109.751 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.31 -46.99 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.22 -30.91 71.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 0.0 109.633 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 54.9 m -60.29 -53.42 57.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.975 . . . . 0.0 109.9 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -50.48 62.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 109.573 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -51.18 -42.27 60.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.0 109.446 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -70.77 -35.96 72.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.562 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -66.58 -56.71 9.5 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.593 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -61.51 -35.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.401 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.56 -44.15 68.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.777 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -64.43 -44.7 90.36 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.199 -0.938 . . . . 0.0 109.527 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.1 m -61.07 -32.92 72.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.128 -0.983 . . . . 0.0 109.902 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.84 -59.47 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.886 -1.134 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.12 -34.28 72.6 Favored Glycine 0 N--CA 1.504 3.2 0 C-N-CA 119.859 -1.162 . . . . 0.0 110.71 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' B' ' 27' ' ' HIS . 8.0 t-80 -55.34 -35.18 64.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.401 -1.647 . . . . 0.0 109.658 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.05 -35.9 71.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . 0.618 ' N ' HD21 ' B' ' 29' ' ' ASN . 1.3 m120 -49.54 -40.32 37.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.139 -0.975 . . . . 0.0 109.045 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -63.75 -34.01 76.94 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mt -85.75 43.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.435 -0.791 . . . . 0.0 109.126 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -97.05 -59.34 1.81 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.567 -0.708 . . . . 0.0 109.532 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.519 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 12.2 ttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.6 tt 82.23 -58.52 0.2 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.86 -0.525 . . . . 0.0 110.076 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 0.6 OUTLIER -68.27 -49.69 32.14 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 120.463 -1.398 . . . . 0.0 109.264 -179.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 37.3 Cg_endo -96.4 -23.03 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.842 2.362 . . . . 0.0 112.562 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . 0.414 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 35.4 t80 -88.01 -45.68 10.0 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.13 -0.982 . . . . 0.0 110.828 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . 0.483 ' OE1' ' CG1' ' C' ' 10' ' ' ILE . 1.4 tm0? -44.77 -62.45 1.21 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.0 -1.063 . . . . 0.0 110.612 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.43 -21.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.298 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.43 -47.5 60.44 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.802 -1.186 . . . . 0.0 108.684 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.34 -31.01 72.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.102 -0.999 . . . . 0.0 109.803 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.483 ' CG1' ' OE1' ' C' ' 6' ' ' GLN . 35.5 mm -63.73 -59.55 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.065 -1.022 . . . . 0.0 110.101 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -49.83 -43.92 49.08 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 120.192 -1.568 . . . . 0.0 110.981 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -65.0 -40.46 94.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.531 -1.356 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . 0.401 ' O ' ' OG ' ' C' ' 16' ' ' SER . 87.7 t80 -65.77 -46.47 78.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.515 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . 0.403 HD13 HG23 ' C' ' 14' ' ' ILE . 96.0 mt -58.48 -42.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 109.612 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -41.72 75.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 109.433 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' C' ' 13' ' ' PHE . 82.5 p -49.82 -50.56 44.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.0 109.781 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.72 75.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.0 109.395 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.46 -46.75 70.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.915 . . . . 0.0 108.998 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -61.96 -35.43 78.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.411 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.68 -50.33 71.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.0 109.725 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.06 -45.88 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 109.922 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.77 73.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 0.0 109.706 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -66.66 -46.29 76.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.183 -0.948 . . . . 0.0 109.535 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -60.94 -32.88 72.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.985 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.65 -64.77 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -35.86 88.65 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.644 -1.265 . . . . 0.0 110.17 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.07 -49.64 49.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.465 -1.609 . . . . 0.0 109.355 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.12 -35.13 80.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.335 -0.853 . . . . 0.0 109.488 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -56.7 -35.57 68.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 0.0 109.664 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.25 -51.08 70.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 0.0 109.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.1 tt -85.28 49.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.156 -0.965 . . . . 0.0 109.04 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -103.99 -45.32 4.78 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.374 -0.829 . . . . 0.0 109.217 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.55 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . 0.62 ' H ' HE21 ' D' ' 6' ' ' GLN . 5.3 tp -76.77 -135.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.951 . . . . 0.0 108.889 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.445 ' CB ' ' CD ' ' D' ' 4' ' ' PRO . 11.5 mt-10 -149.43 -67.08 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.286 -1.509 . . . . 0.0 109.472 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 55.8 Cg_endo -66.72 -42.26 9.36 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.27 1.98 . . . . 0.0 112.335 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -84.18 -42.0 16.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.138 -0.976 . . . . 0.0 109.863 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . 0.62 HE21 ' H ' ' D' ' 2' ' ' LEU . 9.6 tp-100 -48.69 -53.27 19.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -57.73 -20.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.104 0 CA-C-O 121.264 0.554 . . . . 0.0 109.841 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tt -71.49 -48.57 48.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -42.07 84.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.396 -0.815 . . . . 0.0 109.42 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' D' ' 11' ' ' SER . 28.0 mm -54.32 -59.6 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.072 -1.018 . . . . 0.0 109.137 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.412 ' C ' ' O ' ' D' ' 10' ' ' ILE . 70.7 m -43.95 -48.05 8.57 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 120.13 -1.606 . . . . 0.0 110.973 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -60.45 -40.59 91.68 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.584 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.634 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.07 -39.4 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.487 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.15 -43.44 64.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -50.39 -47.78 56.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 110.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.07 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.954 . . . . 0.0 109.767 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.54 -49.48 75.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 109.405 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.46 -36.6 82.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.182 -0.949 . . . . 0.0 109.718 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.16 -50.99 71.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.946 . . . . 0.0 109.773 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -74.49 -37.62 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.203 -0.936 . . . . 0.0 109.807 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.55 73.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -71.55 -46.63 58.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.714 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -62.33 -32.35 73.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.795 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.06 -61.51 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.968 -1.083 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.86 88.37 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.617 -1.277 . . . . 0.0 109.976 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -72.17 -57.3 4.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.501 -1.588 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.28 -44.4 75.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.287 -0.883 . . . . 0.0 108.959 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -57.3 -40.26 77.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.342 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.33 -44.74 88.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.56 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -90.27 52.68 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -159.47 -52.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.501 -0.749 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.433 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.0 t80 . . . . . 0 N--CA 1.502 2.126 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -52.87 -26.03 13.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.79 -1.194 . . . . 0.0 110.061 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.68 -19.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 O-C-N 121.615 -0.678 . . . . 0.0 109.502 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 8' ' ' LEU . 4.8 tt -83.41 -48.89 9.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -57.38 -51.46 69.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.0 109.752 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 86.2 mt -64.04 -55.83 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.71 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.2 m -42.95 -50.6 5.82 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 119.932 -1.73 . . . . 0.0 110.96 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -59.33 -41.23 88.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 0.0 109.601 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -55.37 -46.49 76.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.4 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -58.07 -40.75 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.6 tt -68.93 -41.59 77.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.299 -0.876 . . . . 0.0 109.355 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 m -50.46 -52.5 37.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.066 -1.021 . . . . 0.0 109.913 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.89 79.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.93 -54.18 38.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.174 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -65.12 -37.12 86.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.736 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.21 -50.66 61.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.193 -0.942 . . . . 0.0 109.64 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.98 -45.57 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.633 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' B' ' 23' ' ' TRP . . . -57.71 -22.4 46.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.0 109.562 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -80.37 -47.08 14.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.0 109.35 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -62.26 -33.59 74.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.9 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.71 -60.7 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.939 -1.101 . . . . 0.0 109.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.98 -34.39 83.1 Favored Glycine 0 N--CA 1.502 3.085 0 C-N-CA 119.609 -1.281 . . . . 0.0 109.905 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -74.49 -52.25 12.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.575 -1.544 . . . . 0.0 109.395 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.265 -0.897 . . . . 0.0 109.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.297 -0.877 . . . . 0.0 109.446 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 N--CA 1.498 1.786 0 CA-C-O 121.432 0.513 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.484 ' O ' ' CD1' ' B' ' 5' ' ' PHE . 37.2 t80 -76.25 -15.31 60.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.479 -0.763 . . . . 0.0 109.786 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -69.81 0.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.077 0.941 . . . . 0.0 110.031 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.77 -22.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.14 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.847 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.528 ' O ' HD23 ' B' ' 8' ' ' LEU . 1.9 tt -71.07 -49.27 46.46 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.79 -1.194 . . . . 0.0 108.69 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -60.15 -38.86 84.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 109.374 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 11' ' ' SER . 19.5 mm -60.52 -58.59 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.428 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.421 ' C ' ' O ' ' B' ' 10' ' ' ILE . 71.1 m -43.17 -48.03 6.35 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 119.976 -1.702 . . . . 0.0 110.997 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -57.68 -35.53 70.73 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.616 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.87 -43.96 97.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.177 -0.952 . . . . 0.0 109.315 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -57.68 -46.84 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.342 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.89 -38.63 91.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 109.757 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 57.0 p -52.63 -47.16 67.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.115 -0.991 . . . . 0.0 109.599 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.11 -38.02 44.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.142 -0.974 . . . . 0.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.527 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -57.8 -38.17 75.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 109.063 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -73.68 -48.79 29.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.117 -0.989 . . . . 0.0 109.851 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.28 -46.68 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.919 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.536 ' O ' HD13 ' B' ' 21' ' ' ILE . 0.2 OUTLIER -67.76 -45.35 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.294 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.456 ' N ' ' CG2' ' B' ' 21' ' ' ILE . . . -63.16 -37.31 86.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.075 . . . . 0.0 109.488 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 22' ' ' ALA . 62.8 t-105 -60.88 -44.93 96.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.201 -0.937 . . . . 0.0 109.412 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 33.8 m -62.49 -33.84 75.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 109.874 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -82.56 -58.3 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.986 -1.071 . . . . 0.0 110.382 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.37 82.52 Favored Glycine 0 N--CA 1.504 3.218 0 C-N-CA 119.852 -1.166 . . . . 0.0 110.808 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.328 -1.69 . . . . 0.0 109.535 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.555 0.217 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.7 -32.18 69.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.498 -1.376 . . . . 0.0 110.431 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -68.76 -18.07 22.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.922 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -83.53 -47.04 11.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 108.917 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.89 -42.79 76.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.66 -56.85 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.137 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -44.7 -52.88 7.87 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 111.0 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -61.73 -40.31 94.64 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.681 -0.807 . . . . 0.0 109.36 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -57.94 -48.69 79.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.17 -36.06 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 0.0 109.234 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.538 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.1 tt -71.77 -45.28 62.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -0.884 . . . . 0.0 109.189 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 62.4 m -46.95 -48.13 21.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.048 -1.032 . . . . 0.0 110.02 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -48.05 68.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.063 -1.023 . . . . 0.0 109.794 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.24 -49.71 63.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -64.03 -39.27 93.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.236 -0.915 . . . . 0.0 110.021 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.93 -51.86 67.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 109.787 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.57 -60.45 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.425 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -45.63 -28.03 0.9 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 110.15 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -73.62 -44.16 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -65.33 -35.89 82.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 110.519 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.603 HD12 ' N ' ' C' ' 25' ' ' ILE . 1.9 mp -81.57 -52.96 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.713 -1.242 . . . . 0.0 109.46 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.35 90.83 Favored Glycine 0 N--CA 1.503 3.166 0 C-N-CA 119.595 -1.288 . . . . 0.0 109.978 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -71.24 -43.56 67.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.568 -1.548 . . . . 0.0 109.195 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.92 -36.05 76.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.36 -0.837 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.63 -32.15 68.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.452 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -63.23 -50.13 71.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.0 109.637 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.41 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.8 tt . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.147 -0.971 . . . . 0.0 108.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.61 0.719 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -60.23 -25.38 65.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.842 . . . . 0.0 109.589 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 5.9 tp -74.03 -19.4 17.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.584 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.7 tt -79.89 -48.48 13.39 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.1 p -58.74 -49.43 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.591 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.91 -52.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -48.78 -40.83 30.37 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 119.913 -1.742 . . . . 0.0 110.984 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 98.6 p -67.08 -32.62 73.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.47 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -63.24 -43.57 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.92 -39.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 0.0 109.452 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.583 ' O ' HD23 ' D' ' 15' ' ' LEU . 2.0 tt -73.21 -42.12 63.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.305 -0.872 . . . . 0.0 109.745 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 29.0 t -54.85 -46.74 74.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.03 63.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.047 -1.033 . . . . 0.0 109.646 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.84 -46.16 64.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.174 -0.954 . . . . 0.0 109.084 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -67.26 -37.45 83.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.9 . . . . 0.0 109.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.65 -52.54 65.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.806 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.88 -40.26 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 109.66 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.46 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.085 -1.009 . . . . 0.0 109.51 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' TRP . . . . . 0.425 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 47.1 t-105 -69.68 -43.67 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 27.0 m -63.19 -31.9 73.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.83 -60.38 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.0 110.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.66 93.03 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.214 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.81 -50.68 55.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.47 -1.606 . . . . 0.0 109.073 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.28 -47.0 79.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.359 -0.838 . . . . 0.0 109.313 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -59.86 -33.76 72.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.461 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.25 -40.33 81.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.256 -0.902 . . . . 0.0 109.494 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.1 t80 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 120.722 0.296 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' LEU . 22.6 tp60 -45.92 -63.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.895 -1.128 . . . . 0.0 110.072 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -45.31 -20.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.004 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 tt -75.76 -49.15 19.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.024 -1.048 . . . . 0.0 108.302 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -57.57 -36.21 71.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.0 109.224 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' SER . 20.2 mm -61.37 -56.84 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.269 -0.894 . . . . 0.0 109.23 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -43.03 -49.69 6.07 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.03 -1.669 . . . . 0.0 110.974 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -56.57 -36.7 69.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.402 -0.811 . . . . 0.0 109.463 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.41 -37.08 85.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.888 . . . . 0.0 109.658 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.57 -42.91 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -69.93 -35.54 74.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.91 . . . . 0.0 110.066 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -61.18 -48.38 81.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 109.991 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.27 40.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.008 . . . . 0.0 109.528 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.04 -43.69 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 108.961 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -64.44 -37.93 89.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.346 -0.846 . . . . 0.0 109.407 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.72 -52.93 63.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -0.853 . . . . 0.0 109.832 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.95 -44.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.768 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.14 82.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.934 . . . . 0.0 109.566 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -63.36 -43.53 97.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.194 -0.941 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.0 m -64.35 -33.02 74.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 0.0 109.963 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.95 -59.33 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.928 -1.108 . . . . 0.0 109.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.59 -35.51 91.92 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.75 -1.215 . . . . 0.0 110.279 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -71.32 -50.05 36.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.473 -1.604 . . . . 0.0 109.424 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.74 -35.97 73.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.0 109.453 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 m120 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.155 -0.966 . . . . 0.0 109.519 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 CA-C-O 121.218 0.424 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -87.14 -47.83 8.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.882 . . . . 0.0 111.138 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -46.14 -52.84 11.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.824 -1.172 . . . . 0.0 110.521 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -55.83 -20.25 8.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 CA-C-O 121.201 0.524 . . . . 0.0 109.904 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.76 -50.04 13.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.989 . . . . 0.0 109.009 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -55.29 -37.2 67.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.745 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.75 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.065 -1.022 . . . . 0.0 109.649 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -46.46 -37.84 8.32 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 119.961 -1.712 . . . . 0.0 110.977 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 27.8 p -69.42 -29.78 67.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.621 -1.3 . . . . 0.0 109.933 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -72.26 -56.57 5.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.06 -34.39 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.075 -1.016 . . . . 0.0 109.868 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -75.51 -38.44 59.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.16 -0.962 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -56.59 -49.64 74.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 110.064 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.51 37.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -50.62 -43.0 56.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -64.53 -36.09 83.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.92 -51.07 68.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.08 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 pt -76.28 -29.25 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 110.051 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 -25.4 62.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.003 . . . . 0.0 109.647 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -84.44 -48.08 10.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.926 . . . . 0.0 109.605 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 44.1 m -67.65 -34.47 77.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.171 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.87 -50.15 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.977 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.26 76.4 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.11 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 120.553 -1.557 . . . . 0.0 109.375 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 120.66 0.267 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.83 -68.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.493 -1.379 . . . . 0.0 110.677 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 tt -46.59 -22.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 121.804 -0.56 . . . . 0.0 110.149 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.71 -39.57 66.87 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.963 -1.086 . . . . 0.0 108.337 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -63.16 -40.93 98.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.463 -0.773 . . . . 0.0 109.171 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.573 HD12 ' N ' ' C' ' 10' ' ' ILE . 1.7 mp -62.75 -67.55 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 109.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -43.42 -47.02 6.9 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.152 -1.592 . . . . 0.0 110.968 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -64.12 -39.79 94.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.723 -1.235 . . . . 0.0 108.983 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -65.42 -51.58 59.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.408 -0.808 . . . . 0.0 109.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.44 -33.44 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.315 -0.866 . . . . 0.0 109.475 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 tp -76.13 -35.81 59.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 109.885 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -60.05 -51.05 71.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 109.934 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.26 52.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 0.0 109.505 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.03 -40.74 70.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' HIS . . . . . 0.458 ' CE1' HD21 ' B' ' 15' ' ' LEU . 19.9 t-80 -64.5 -45.19 88.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.042 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -54.3 -53.57 51.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.139 -0.976 . . . . 0.0 109.925 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.59 -52.03 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.871 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.95 -47.43 52.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.945 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -64.02 -43.75 94.66 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.577 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -59.92 -32.36 70.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.782 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.67 -64.0 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.961 -1.087 . . . . 0.0 110.219 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -38.39 68.89 Favored Glycine 0 N--CA 1.504 3.201 0 C-N-CA 119.677 -1.249 . . . . 0.0 110.074 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.9 -51.48 47.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.491 -1.593 . . . . 0.0 109.18 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.16 -35.86 80.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.207 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.5 -38.23 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 109.216 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -55.71 -48.76 74.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.591 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.9 tp . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.278 -0.889 . . . . 0.0 109.017 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.02 0.438 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -52.05 -42.68 63.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.998 -1.064 . . . . 0.0 110.204 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.2 -18.21 19.53 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.203 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.413 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.2 tt -79.37 -52.17 8.44 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.6 p -59.76 -43.49 94.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.163 -0.96 . . . . 0.0 109.551 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.1 -34.41 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.204 -0.935 . . . . 0.0 109.609 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -71.28 -33.57 69.87 Favored 'General case' 0 C--O 1.209 -1.046 0 O-C-N 120.01 -1.682 . . . . 0.0 110.941 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -71.86 -36.42 70.11 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.714 -0.795 . . . . 0.0 109.664 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.75 -53.68 43.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.838 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tp -63.65 -32.97 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.168 -0.958 . . . . 0.0 109.687 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.06 -35.01 61.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 109.956 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.9 p -62.81 -53.97 46.12 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.132 -0.98 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.98 93.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.548 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.53 -41.33 97.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.356 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.863 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -56.96 -52.32 65.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.54 -38.26 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.728 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.45 65.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 0.0 109.585 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -79.68 -45.44 18.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.588 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.4 m -66.53 -36.45 82.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.099 -1.001 . . . . 0.0 109.827 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 94.1 mt -76.36 -54.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.74 -1.225 . . . . 0.0 110.052 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' D' ' 29' ' ' ASN . . . -63.54 -28.11 71.95 Favored Glycine 0 N--CA 1.504 3.209 0 C-N-CA 119.92 -1.133 . . . . 0.0 110.279 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -87.05 -55.83 3.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.557 -1.555 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.96 -55.36 20.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.778 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' D' ' 30' ' ' GLN . 38.1 p-10 -54.43 -34.82 62.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.02 . . . . 0.0 109.623 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' D' ' 29' ' ' ASN . 38.0 tt0 -58.13 -42.1 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.987 . . . . 0.0 109.316 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 109.479 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 120.804 0.335 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -53.98 -28.13 35.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.74 -1.225 . . . . 0.0 109.974 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -72.57 -20.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.151 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.8 tt -79.3 -48.57 13.88 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 p -59.26 -34.11 71.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.706 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.47 -65.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.946 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -44.92 -40.7 6.55 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.012 -1.68 . . . . 0.0 110.965 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -64.17 -43.9 93.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.84 -1.163 . . . . 0.0 109.243 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -54.7 -40.15 68.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.321 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.2 -45.2 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.317 -0.865 . . . . 0.0 109.331 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.68 -35.8 81.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 109.646 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.8 m -56.31 -47.87 77.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.942 . . . . 0.0 109.986 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.49 72.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -50.7 -48.0 58.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.65 -37.73 87.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.777 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.47 -51.18 70.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.891 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.75 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.805 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.41 91.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -68.71 -43.46 75.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -65.06 -34.66 78.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.252 -0.905 . . . . 0.0 109.858 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.53 -57.22 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.9 -1.125 . . . . 0.0 110.139 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.54 83.47 Favored Glycine 0 N--CA 1.503 3.13 0 C-N-CA 119.721 -1.228 . . . . 0.0 110.152 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.61 -49.32 16.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.546 -1.561 . . . . 0.0 109.56 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.55 -38.99 93.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.482 0.821 0 CA-C-O 120.921 0.3 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -101.13 -62.06 1.29 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.201 -0.937 . . . . 0.0 111.249 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.09 -26.87 29.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.672 -1.267 . . . . 0.0 110.14 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.69 -17.42 16.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 109.232 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.461 ' O ' HD23 ' B' ' 8' ' ' LEU . 4.3 tt -82.07 -50.62 8.88 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -57.69 -46.51 84.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.626 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.5 mt -62.31 -52.5 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 109.543 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.406 ' C ' ' O ' ' B' ' 10' ' ' ILE . 70.6 m -43.15 -51.57 5.91 Favored 'General case' 0 C--O 1.205 -1.24 0 O-C-N 119.998 -1.689 . . . . 0.0 110.958 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -53.9 -45.94 71.27 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.361 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -51.18 -44.25 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 0.0 109.273 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -58.58 -42.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -66.91 -42.02 86.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.835 . . . . 0.0 109.287 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.7 m -49.39 -51.18 36.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.167 -0.958 . . . . 0.0 109.818 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.04 11.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.78 -47.69 30.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 109.125 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -52.62 -42.69 64.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.57 -47.33 73.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.941 . . . . 0.0 109.687 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.78 -34.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.58 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.11 -37.62 38.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -73.11 -43.79 61.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 109.625 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.503 ' CG2' ' N ' ' B' ' 25' ' ' ILE . 2.5 t -63.27 -47.87 80.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.21 -0.931 . . . . 0.0 109.354 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG2' ' B' ' 24' ' ' THR . 96.7 mt -65.81 -58.34 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -31.93 59.67 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 120.643 -1.504 . . . . 0.0 108.855 179.406 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 75.8 t80 . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.049 0.452 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -45.97 -47.46 16.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.944 -1.098 . . . . 0.0 111.057 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.4 -20.18 24.09 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.776 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.56 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.1 tt -75.19 -50.21 16.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 108.907 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -62.36 -43.99 97.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -37.13 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.089 -1.007 . . . . 0.0 109.821 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -64.7 -39.59 93.91 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 119.971 -1.705 . . . . 0.0 110.945 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -67.92 -36.52 80.32 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.533 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.71 -49.03 76.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -60.34 -45.08 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.589 HD23 ' O ' ' C' ' 15' ' ' LEU . 3.8 tt -65.55 -48.71 71.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.166 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -43.97 -52.54 6.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.513 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.34 89.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.931 -1.106 . . . . 0.0 109.772 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 31.5 tp -52.54 -39.39 61.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 109.662 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -67.65 -58.61 4.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.215 -0.928 . . . . 0.0 110.016 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -51.53 -48.08 63.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.185 -0.947 . . . . 0.0 109.683 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.69 -63.9 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.151 -0.968 . . . . 0.0 109.657 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.31 -26.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 0.0 110.094 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -71.35 -43.2 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.18 -0.95 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -65.28 -35.97 82.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.652 HD12 ' N ' ' C' ' 25' ' ' ILE . 1.6 mp -77.65 -56.2 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.776 -1.202 . . . . 0.0 109.43 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.18 -34.17 87.03 Favored Glycine 0 N--CA 1.504 3.167 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.226 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -73.74 -51.43 16.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.506 -1.585 . . . . 0.0 109.499 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.36 -37.54 86.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -55.41 -38.2 68.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 109.703 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -49.74 76.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.135 -0.978 . . . . 0.0 109.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.637 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.0 tp . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 109.349 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 121.043 0.449 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.97 -29.92 63.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.077 . . . . 0.0 109.869 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -72.26 -17.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.477 HD23 ' O ' ' D' ' 8' ' ' LEU . 2.5 tt -81.47 -53.12 6.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 108.727 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.8 p -58.31 -42.71 87.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.43 -60.2 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.266 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.07 -44.22 7.35 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 119.889 -1.757 . . . . 0.0 110.991 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -64.39 -28.33 69.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -68.53 -54.92 13.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.007 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 pt -60.38 -34.35 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.558 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.521 ' O ' HD23 ' D' ' 15' ' ' LEU . 2.2 tt -74.16 -48.5 28.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.254 -0.904 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -45.8 -49.04 15.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.137 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.22 84.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.999 -1.063 . . . . 0.0 109.591 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.49 -50.48 71.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.968 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -66.89 -36.24 81.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.37 -49.69 71.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.2 mt -77.91 -45.72 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.916 . . . . 0.0 109.955 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.92 -43.31 71.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.341 -0.849 . . . . 0.0 109.439 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -63.56 -33.87 76.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.223 -0.923 . . . . 0.0 110.112 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -79.58 -58.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.882 -1.136 . . . . 0.0 109.926 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.5 90.75 Favored Glycine 0 N--CA 1.503 3.123 0 C-N-CA 119.752 -1.213 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -70.46 -47.57 60.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.525 -1.573 . . . . 0.0 109.332 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.64 -32.54 67.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.355 -0.841 . . . . 0.0 109.262 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -58.85 -39.79 82.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.225 -0.922 . . . . 0.0 109.379 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -58.75 -45.3 90.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.257 -0.902 . . . . 0.0 109.189 179.749 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.784 0.326 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -46.74 -51.41 16.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.779 -1.2 . . . . 0.0 110.364 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 tt -54.42 -20.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.1 tt -78.82 -46.53 18.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.292 -0.88 . . . . 0.0 108.842 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -62.18 -32.88 73.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 109.925 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.35 -64.1 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.045 -1.035 . . . . 0.0 109.79 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.68 -42.1 11.2 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.085 -1.635 . . . . 0.0 110.952 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -63.0 -38.74 92.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.924 -1.11 . . . . 0.0 109.347 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.51 -49.25 64.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.713 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 tt -71.17 -45.18 64.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.248 -0.908 . . . . 0.0 109.392 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.4 p -47.29 -45.76 24.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.085 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.06 69.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.067 -1.021 . . . . 0.0 109.762 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.0 -43.89 78.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 109.483 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.31 -36.89 80.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.935 . . . . 0.0 110.004 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -63.9 -51.46 64.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.847 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.7 tt -72.52 -34.61 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 109.879 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.21 71.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -67.39 -43.53 81.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 m -63.21 -35.11 79.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.908 . . . . 0.0 109.816 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -81.04 -58.78 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.82 -1.175 . . . . 0.0 109.824 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.69 -35.43 62.51 Favored Glycine 0 N--CA 1.503 3.127 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -78.18 -54.64 6.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.536 -1.567 . . . . 0.0 109.256 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD23 ' C ' ' A' ' 28' ' ' LEU . 7.1 tt -61.22 -52.68 63.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.218 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.486 1.077 0 CA-C-O 121.433 0.514 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -59.08 -46.8 87.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.766 . . . . 0.0 109.249 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.57 -71.36 0.22 Allowed 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.925 -1.109 . . . . 0.0 110.628 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tt -43.9 -25.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.618 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.6 -47.22 56.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.869 -1.144 . . . . 0.0 108.705 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -64.94 -35.55 81.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.1 -56.88 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.918 . . . . 0.0 109.989 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -55.4 -41.94 73.38 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 120.237 -1.539 . . . . 0.0 110.945 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 26.2 m -64.7 -35.82 82.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -69.37 -48.82 60.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.0 109.519 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 93.8 mt -56.21 -35.53 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 109.617 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.4 tt -74.34 -43.9 54.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.07 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -46.96 -48.63 21.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.202 -0.937 . . . . 0.0 109.725 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -46.23 63.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.147 -0.971 . . . . 0.0 109.29 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -49.8 -47.81 51.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.336 -0.852 . . . . 0.0 108.949 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -64.19 -36.55 84.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.259 -0.9 . . . . 0.0 109.67 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -60.76 -40.78 93.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.032 -1.042 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mm -78.23 -52.75 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 109.934 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' C' ' 23' ' ' TRP . . . -59.69 -45.35 92.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 109.876 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -62.84 -44.41 96.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.885 . . . . 0.0 109.89 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 46.3 m -65.06 -34.88 79.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.78 -55.45 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.906 -1.121 . . . . 0.0 109.962 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -35.07 91.33 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.661 -1.257 . . . . 0.0 110.219 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.49 -1.594 . . . . 0.0 109.24 179.706 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.186 0.517 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -47.5 -39.26 15.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.168 -0.957 . . . . 0.0 110.619 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.83 -21.05 27.91 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 O-C-N 121.86 -0.525 . . . . 0.0 110.196 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.515 HD23 ' O ' ' C' ' 8' ' ' LEU . 2.3 tt -79.2 -45.94 18.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.893 . . . . 0.0 108.633 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 31.2 t -60.27 -33.84 72.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.86 -66.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.996 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 97.2 p -43.8 -37.51 2.78 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.933 -1.729 . . . . 0.0 110.982 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -65.84 -40.21 91.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.488 -1.383 . . . . 0.0 109.034 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.09 -38.64 76.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -62.11 -48.79 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.133 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.55 -27.15 68.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.768 . . . . 0.0 109.912 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.5 m -67.11 -49.48 64.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.29 76.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.103 -0.998 . . . . 0.0 109.395 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.81 -39.55 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -61.87 -48.92 78.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -52.78 -55.66 21.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 109.576 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.42 -47.5 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.655 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.2 61.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.942 . . . . 0.0 109.506 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' TRP . . . . . 0.408 ' CE2' ' HB1' ' B' ' 22' ' ' ALA . 65.8 t-105 -66.48 -44.62 82.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.18 -0.95 . . . . 0.0 109.384 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -66.93 -33.07 74.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.0 109.792 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.3 mt -76.05 -57.11 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.93 -1.106 . . . . 0.0 109.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.4 -35.57 92.11 Favored Glycine 0 N--CA 1.502 3.042 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.112 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -70.0 -44.79 68.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.476 -1.602 . . . . 0.0 109.079 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.22 -36.28 83.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.023 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.912 . . . . 0.0 109.403 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -57.91 -48.92 78.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.499 ' O ' HG23 ' C' ' 31' ' ' ILE . 13.7 tt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.303 -0.873 . . . . 0.0 109.13 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.212 0.53 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -52.64 -34.09 49.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 110.312 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.9 tt -72.79 -16.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.219 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.38 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.1 tt -80.05 -53.02 7.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -59.95 -44.44 94.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.0 109.542 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.32 -36.97 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.1 m -62.19 -38.84 90.64 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 119.939 -1.726 . . . . 0.0 110.934 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t -66.49 -33.99 76.92 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.799 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.96 -60.03 3.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 0.0 110.121 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ILE . . . . . 0.54 HD13 ' O ' ' D' ' 14' ' ' ILE . 0.2 OUTLIER -54.85 -43.59 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.29 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.535 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.2 tt -65.5 -42.72 91.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.078 -1.014 . . . . 0.0 109.425 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -48.41 -53.81 16.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.17 80.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.105 -0.997 . . . . 0.0 109.737 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -51.24 -45.46 61.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.186 -0.946 . . . . 0.0 109.319 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -68.69 -37.89 79.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.38 -55.89 15.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.931 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.463 HG23 ' N ' ' D' ' 22' ' ' ALA . 20.5 tt -64.65 -39.38 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.162 -0.961 . . . . 0.0 109.763 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.463 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -62.92 -43.98 97.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 0.0 109.516 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -60.16 -43.69 95.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.935 . . . . 0.0 109.463 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 45.4 m -66.04 -34.38 77.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 109.87 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.11 -57.07 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.812 -1.18 . . . . 0.0 109.808 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.35 88.1 Favored Glycine 0 N--CA 1.503 3.12 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.106 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -75.49 -52.62 10.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.5 -1.588 . . . . 0.0 109.332 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.05 -41.36 96.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -0.839 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.79 -41.86 87.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.154 -0.966 . . . . 0.0 109.493 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -54.48 -45.76 73.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.0 109.313 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 pt . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.256 -0.903 . . . . 0.0 109.519 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -55.48 -40.65 71.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.788 -1.195 . . . . 0.0 109.769 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 tt -63.44 -20.75 26.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.225 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.279 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.54 -37.32 43.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 108.917 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -64.53 -48.62 74.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.0 110.021 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 pt -77.27 -24.81 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 110.267 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -78.38 -48.03 16.4 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 119.772 -1.83 . . . . 0.0 110.992 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t -67.74 -25.24 65.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.238 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -72.05 -60.93 1.98 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 tt -55.1 -35.74 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 109.159 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.2 tt -73.16 -40.21 65.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 108.862 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.8 t -48.65 -47.34 40.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.12 33.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.226 -0.921 . . . . 0.0 109.384 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -49.11 -45.3 43.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 0.0 109.292 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.8 -33.05 74.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.681 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -67.13 -51.01 59.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.41 -29.39 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.66 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.51 72.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.967 . . . . 0.0 109.4 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -77.36 -46.23 23.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -68.47 -34.65 76.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.181 -0.949 . . . . 0.0 109.866 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.39 -53.95 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.685 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.93 88.58 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -76.73 -51.95 10.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.698 -1.472 . . . . 0.0 109.031 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 28' ' ' LEU . 7.9 tt -63.65 -49.44 73.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.025 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.0 109.534 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.484 0.969 0 CA-C-O 121.204 0.418 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.71 -43.31 9.65 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 111.1 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -45.4 -64.19 0.78 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.925 -1.109 . . . . 0.0 110.387 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.49 -21.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.508 ' O ' HD23 ' B' ' 8' ' ' LEU . 2.8 tt -72.29 -53.83 11.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.877 -1.139 . . . . 0.0 108.564 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -53.12 -38.27 62.5 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.275 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.1 -57.54 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.166 -0.959 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.29 -43.29 7.29 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 120.241 -1.537 . . . . 0.0 110.963 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 10.8 t -67.18 -42.9 83.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.663 -1.273 . . . . 0.0 109.577 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.58 -48.58 78.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.34 -40.92 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.177 -0.952 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.58 -34.78 76.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -57.37 -52.18 66.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.084 -1.01 . . . . 0.0 109.555 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.61 -55.06 11.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 109.31 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.1 -40.74 24.31 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 108.95 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -60.61 -45.32 94.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.59 -52.7 50.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.764 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.52 -38.72 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.237 -0.914 . . . . 0.0 109.582 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.65 68.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 109.721 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -62.05 -44.15 97.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.129 -0.982 . . . . 0.0 109.541 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.3 m -59.86 -34.27 72.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.967 . . . . 0.0 109.859 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -85.45 -60.52 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.912 -1.118 . . . . 0.0 110.308 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -34.58 58.39 Favored Glycine 0 N--CA 1.505 3.275 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.67 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 120.396 -1.65 . . . . 0.0 109.515 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' C' ' 5' ' ' PHE . 84.3 t80 . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.005 0.431 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -73.4 -40.9 63.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.685 -1.259 . . . . 0.0 110.788 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -71.27 -23.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 O-C-N 121.674 -0.641 . . . . 0.0 110.146 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.0 OUTLIER -76.36 -43.2 41.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.896 -1.127 . . . . 0.0 108.456 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -64.96 -43.84 91.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.488 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.3 -61.88 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 0.0 109.722 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.43 -42.54 7.08 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 120.001 -1.687 . . . . 0.0 110.967 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -62.19 -46.35 89.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.682 -1.261 . . . . 0.0 109.509 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.86 -43.76 97.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.667 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.51 -40.69 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 110.168 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.3 tt -70.25 -31.95 69.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 0.0 109.616 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -62.58 -54.21 43.08 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.856 -1.153 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.89 72.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.951 -1.093 . . . . 0.0 109.526 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.81 -33.49 75.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -72.63 -40.74 66.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.913 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.86 -57.38 10.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.715 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.466 HG23 ' N ' ' C' ' 22' ' ' ALA . 18.1 tt -56.66 -38.48 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.155 -0.965 . . . . 0.0 109.662 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.466 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -71.19 -35.95 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.477 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -68.54 -43.02 77.61 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.3 m -67.57 -33.72 75.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 110.023 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -77.92 -55.03 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.807 -1.183 . . . . 0.0 109.843 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.55 -34.36 89.7 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.05 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -72.5 -46.44 54.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.575 -1.544 . . . . 0.0 109.314 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.08 -34.35 70.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 0.0 109.215 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.9 -37.58 88.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 109.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -53.14 -38.21 62.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 122.315 1.055 . . . . 0.0 108.825 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 t80 . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.74 -34.1 69.24 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.966 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -66.68 -23.83 31.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.58 -44.12 29.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.179 -0.95 . . . . 0.0 108.565 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -53.34 -43.02 67.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.409 -0.807 . . . . 0.0 109.175 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -64.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.77 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.7 -46.37 10.29 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 120.043 -1.661 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -65.34 -35.33 80.66 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.865 -1.147 . . . . 0.0 109.045 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.77 -42.81 98.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.39 -0.819 . . . . 0.0 109.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.8 -44.52 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.356 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.5 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.8 tt -69.59 -46.41 66.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.414 -0.804 . . . . 0.0 109.359 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.2 m -46.58 -46.8 19.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.963 . . . . 0.0 109.931 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.29 65.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 0.0 109.375 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.465 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -58.93 -51.97 67.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 0.0 109.173 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -67.51 -30.56 70.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.718 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.26 -43.24 87.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.931 . . . . 0.0 109.606 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -80.04 -49.17 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.64 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 109.774 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.83 -42.97 72.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.225 -0.922 . . . . 0.0 109.657 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -65.72 -35.9 82.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.4 mt -79.86 -55.89 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.783 -1.198 . . . . 0.0 109.824 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -34.29 76.58 Favored Glycine 0 N--CA 1.503 3.125 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.45 -52.89 7.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.653 -1.499 . . . . 0.0 109.254 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.581 HD23 ' C ' ' D' ' 28' ' ' LEU . 7.2 tt -63.05 -51.57 66.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.341 -0.849 . . . . 0.0 109.242 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.99 -34.85 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.163 -0.96 . . . . 0.0 109.578 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -57.43 11.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.203 -0.935 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.457 HG23 ' O ' ' D' ' 31' ' ' ILE . 15.3 tt . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -45.31 -59.98 2.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.971 -1.08 . . . . 0.0 110.374 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -51.68 -20.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 O-C-N 121.943 -0.473 . . . . 0.0 110.154 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.6 tt -73.42 -47.39 42.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.973 -1.08 . . . . 0.0 108.162 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.45 -37.3 77.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.298 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.2 -62.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.563 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.26 -45.08 5.67 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 120.339 -1.476 . . . . 0.0 110.972 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -62.0 -37.53 85.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.627 -1.296 . . . . 0.0 109.331 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.75 -45.89 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 0.0 109.277 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.44 -32.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -77.3 -38.59 50.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.85 . . . . 0.0 109.565 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 109.995 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.48 54.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.444 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 tp -54.47 -49.88 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.154 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.87 -40.19 94.52 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.612 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.92 -52.21 66.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.128 -0.982 . . . . 0.0 109.634 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.84 -38.79 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -0.885 . . . . 0.0 109.9 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.224 -0.922 . . . . 0.0 109.699 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -74.68 -43.96 52.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -67.51 -33.82 75.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.227 -0.92 . . . . 0.0 110.107 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 95.7 mt -77.33 -54.29 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.904 -1.123 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -33.91 87.47 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.979 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -73.01 -48.29 37.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.575 -1.544 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.98 -40.3 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 21.1 m120 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.926 . . . . 0.0 109.424 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo . . . . . 0 N--CA 1.496 1.645 0 CA-C-O 121.113 0.381 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' B' ' 5' ' ' PHE . 66.1 t80 -76.52 1.93 15.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.239 -0.913 . . . . 0.0 110.132 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -74.63 -29.86 61.44 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.996 -1.065 . . . . 0.0 110.912 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.66 -26.33 16.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 121.426 -0.796 . . . . 0.0 110.125 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.7 tt -76.72 -41.37 45.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.915 -1.116 . . . . 0.0 108.105 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -60.12 -45.16 93.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 0.0 109.845 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.7 mt -64.07 -61.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.092 -1.005 . . . . 0.0 110.387 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.428 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.1 m -41.03 -46.37 2.86 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 120.009 -1.682 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -63.75 -34.45 77.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.493 -1.38 . . . . 0.0 109.579 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 10' ' ' ILE . 83.3 t80 -64.09 -57.2 10.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 pt -61.19 -36.33 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.139 -0.976 . . . . 0.0 110.109 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -70.13 -46.49 64.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.47 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -50.01 -54.0 23.03 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.943 . . . . 0.0 110.194 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.921 -1.112 . . . . 0.0 109.578 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.474 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -53.4 -48.05 69.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 108.669 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -66.55 -52.02 50.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.0 109.486 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -48.27 -44.41 33.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.013 -1.054 . . . . 0.0 109.739 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mm -77.02 -63.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.41 -26.31 0.53 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 110.343 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -81.03 -45.7 16.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.163 -0.961 . . . . 0.0 109.668 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.6 m -66.61 -41.08 88.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.105 -0.997 . . . . 0.0 110.424 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.8 mp -79.11 -43.97 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.463 -1.398 . . . . 0.0 109.544 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -23.71 70.81 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 120.679 -1.483 . . . . 0.0 110.714 -179.648 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -55.91 6.32 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 119.57 -1.956 . . . . 0.0 110.924 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.9 -23.85 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.97 -1.081 . . . . 0.0 109.774 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' C' ' 8' ' ' LEU . 0.7 OUTLIER -66.13 -42.1 89.57 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.369 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -68.54 -43.59 76.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.646 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.51 -50.4 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.0 -1.063 . . . . 0.0 110.12 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -56.98 -47.63 80.32 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 119.804 -1.81 . . . . 0.0 110.979 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -64.09 -29.34 70.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.876 -1.14 . . . . 0.0 109.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.78 -52.8 15.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.42 -32.93 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.98 -36.93 56.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.24 -0.913 . . . . 0.0 109.695 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -61.83 -50.78 70.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.032 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -42.59 74.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.065 -1.022 . . . . 0.0 109.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.88 -36.48 83.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.07 -46.96 75.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.993 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.42 -56.35 22.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.088 -1.008 . . . . 0.0 109.724 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.38 -57.5 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.958 . . . . 0.0 109.607 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.4 -33.7 2.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.224 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -74.75 -44.16 51.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.141 -0.974 . . . . 0.0 109.996 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -62.32 -35.92 80.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -82.01 -58.0 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.722 -1.236 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.64 61.09 Favored Glycine 0 N--CA 1.504 3.19 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.096 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.25 -47.43 50.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.526 -1.573 . . . . 0.0 109.105 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.63 -35.77 68.71 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.183 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.01 -34.12 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.78 -50.48 66.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.965 . . . . 0.0 109.686 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.542 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.7 tp . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.067 -1.021 . . . . 0.0 108.965 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.16 0.505 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 6' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' D' ' 8' ' ' LEU . 55.3 tp60 -51.18 -71.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -0.984 . . . . 0.0 109.981 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -41.65 -21.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.507 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' D' ' 6' ' ' GLN . 3.3 tt -75.04 -53.31 9.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.474 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -55.95 -36.47 67.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.258 -0.901 . . . . 0.0 109.259 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' D' ' 11' ' ' SER . 18.2 mm -60.63 -56.41 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.109 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.4 m -42.18 -51.16 4.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 120.04 -1.662 . . . . 0.0 110.973 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -44.36 77.32 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.59 -34.79 65.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.925 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.77 -53.5 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.522 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.551 ' N ' HD12 ' D' ' 15' ' ' LEU . 10.1 mp -62.06 -30.31 70.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 0.0 109.441 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -60.16 -46.95 87.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.0 109.825 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.37 53.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.0 109.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.28 -47.5 81.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.97 -40.64 96.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.907 . . . . 0.0 109.833 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.27 -51.72 65.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.821 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.1 -43.16 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.3 69.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 109.594 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -73.0 -43.76 61.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 0.0 109.417 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 43.3 m -64.46 -34.99 79.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.261 -0.9 . . . . 0.0 109.816 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.26 -58.95 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.791 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.42 -35.52 79.77 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -69.8 -46.62 65.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.648 -1.501 . . . . 0.0 109.123 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.43 -37.87 88.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.357 -0.839 . . . . 0.0 109.227 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.34 -37.35 74.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.928 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.78 -46.35 89.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 pt . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 109.109 179.629 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.502 2.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -54.07 -24.51 17.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.804 -1.185 . . . . 0.0 109.753 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 tt -73.2 -23.05 19.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.302 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.31 -44.4 21.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 108.556 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -57.92 -41.96 83.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.379 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.97 -65.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 0.0 109.626 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -46.1 -45.19 16.21 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 119.986 -1.697 . . . . 0.0 110.958 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -68.75 -21.1 64.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.744 -1.222 . . . . 0.0 109.688 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.6 -58.43 3.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.208 -0.933 . . . . 0.0 109.877 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.75 -36.48 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.997 -1.065 . . . . 0.0 109.542 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.17 -35.52 66.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.054 . . . . 0.0 109.406 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -55.92 -49.14 74.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 0.0 109.575 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.26 91.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.162 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -51.49 -50.3 60.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.368 -0.832 . . . . 0.0 109.144 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -66.28 -30.95 71.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 109.798 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.57 -48.06 81.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.95 . . . . 0.0 109.939 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -75.49 -29.92 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.069 -1.019 . . . . 0.0 109.636 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.46 78.36 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -75.97 -48.31 21.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.287 -0.883 . . . . 0.0 109.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -65.37 -34.49 78.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.119 -0.988 . . . . 0.0 110.327 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.54 -53.33 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.794 -1.191 . . . . 0.0 109.93 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.68 -33.51 84.61 Favored Glycine 0 N--CA 1.503 3.138 0 C-N-CA 119.647 -1.263 . . . . 0.0 109.985 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -72.21 -45.24 61.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.551 -1.558 . . . . 0.0 109.1 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.03 -36.21 74.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.196 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.3 m120 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 N--CA 1.484 0.958 0 CA-C-O 121.261 0.442 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -76.28 -47.03 25.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.194 -0.942 . . . . 0.0 110.882 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 8' ' ' LEU . 21.1 tp60 -47.02 -66.76 0.36 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.875 -1.14 . . . . 0.0 110.005 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -45.01 -21.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.425 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.6 tt -75.06 -50.16 17.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.85 -1.156 . . . . 0.0 108.499 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -57.64 -35.05 69.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.861 . . . . 0.0 109.319 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.91 -54.53 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -44.83 -48.16 11.03 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 120.041 -1.662 . . . . 0.0 110.978 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -57.92 -45.23 86.84 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.607 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -63.55 -48.45 77.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.687 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.41 -43.52 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.744 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -67.33 -34.73 77.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 109.653 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -59.29 -56.93 15.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -0.944 . . . . 0.0 109.914 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.62 68.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.598 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.431 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -61.53 -56.52 19.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.92 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' B' ' 20' ' ' PHE . 4.1 p80 -65.4 -29.12 69.79 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.015 -1.053 . . . . 0.0 109.85 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.607 ' N ' ' ND1' ' B' ' 19' ' ' HIS . 83.9 t80 -58.51 -45.76 88.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.963 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.75 -37.54 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.69 67.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -81.98 -55.14 4.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.0 m -62.9 -34.56 77.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.024 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.75 -54.3 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.899 -1.125 . . . . 0.0 109.73 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -30.18 76.71 Favored Glycine 0 N--CA 1.502 3.045 0 C-N-CA 119.733 -1.222 . . . . 0.0 110.059 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 120.534 -1.568 . . . . 0.0 109.407 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 30.4 t80 . . . . . 0 N--CA 1.503 2.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -47.63 -54.68 11.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.724 -1.235 . . . . 0.0 110.094 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.47 ' O ' ' OG ' ' C' ' 11' ' ' SER . 20.4 tt -51.74 -18.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.845 -0.535 . . . . 0.0 109.825 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.436 ' C ' HD23 ' C' ' 8' ' ' LEU . 5.6 tt -80.82 -51.81 8.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.155 -0.966 . . . . 0.0 108.75 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -59.59 -48.58 81.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.218 -0.926 . . . . 0.0 109.711 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.589 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.5 mp -66.3 -56.21 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.166 -0.959 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' C' ' 7' ' ' ILE . 75.1 m -41.06 -52.31 3.22 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 119.961 -1.712 . . . . 0.0 110.964 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -57.77 -40.64 80.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.63 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' C' ' 13' ' ' PHE . 33.3 t80 -65.42 -50.02 67.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.321 -0.862 . . . . 0.0 109.855 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.98 -38.14 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.241 -0.912 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.543 ' O ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -72.49 -41.02 66.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.192 -0.943 . . . . 0.0 109.453 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 97.9 p -51.82 -49.47 62.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.105 -0.997 . . . . 0.0 110.003 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.64 84.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.166 -0.959 . . . . 0.0 109.776 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 19.3 tp -55.86 -50.02 71.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.66 -45.91 87.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.18 -0.95 . . . . 0.0 109.686 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -48.6 -53.33 18.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.925 . . . . 0.0 109.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.53 -59.86 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.138 -0.976 . . . . 0.0 109.496 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -77.36 -45.58 25.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -0.953 . . . . 0.0 109.764 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -59.29 -36.61 75.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.926 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.645 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -83.33 -60.03 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.729 -1.232 . . . . 0.0 109.41 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.11 -34.94 32.63 Favored Glycine 0 N--CA 1.504 3.18 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.136 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -81.65 -58.61 2.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.547 -1.56 . . . . 0.0 109.318 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.538 HD23 ' C ' ' C' ' 28' ' ' LEU . 6.9 tt -56.86 -51.57 68.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' C' ' 29' ' ' ASN . 47.6 t-20 -52.46 -33.81 46.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -63.57 -55.76 21.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 109.612 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 31' ' ' ILE . 14.6 tt . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.061 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -46.65 -74.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.372 1.082 . . . . 0.0 110.61 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -58.63 -19.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.608 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.542 HD13 ' O ' ' D' ' 8' ' ' LEU . 0.3 OUTLIER -71.26 -45.44 63.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -65.83 -47.96 73.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.736 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mt -63.74 -46.1 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.053 -1.03 . . . . 0.0 109.541 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -49.87 -49.69 48.47 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 119.925 -1.734 . . . . 0.0 111.003 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -60.79 -31.33 70.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 109.62 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -73.11 -53.58 10.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.501 -0.75 . . . . 0.0 109.957 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.92 -41.16 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.0 109.427 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.8 tt -69.24 -46.14 68.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.128 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -45.42 -48.45 13.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.164 -0.96 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.84 74.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -51.14 -43.08 61.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -68.16 -30.92 70.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.9 -50.09 72.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.915 . . . . 0.0 109.808 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 16.5 pt -73.33 -31.52 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.162 -0.961 . . . . 0.0 109.749 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.83 74.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 0.0 109.667 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -77.89 -46.72 20.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -68.73 -32.74 72.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.111 -0.993 . . . . 0.0 110.162 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.69 -51.84 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.873 -1.142 . . . . 0.0 109.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.12 -32.47 76.62 Favored Glycine 0 N--CA 1.503 3.116 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.222 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.42 -48.69 18.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.52 -1.576 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.22 -39.83 73.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.523 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -56.82 -39.71 74.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -58.95 -44.37 91.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.0 109.264 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.26 -0.9 . . . . 0.0 109.324 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.038 0.447 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -46.3 -48.6 18.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.98 -1.075 . . . . 0.0 110.627 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.81 -21.08 25.0 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 0 O-C-N 121.903 -0.498 . . . . 0.0 110.097 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.71 -38.43 58.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.012 -1.055 . . . . 0.0 108.863 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -66.39 -46.27 77.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.855 . . . . 0.0 109.423 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.4 mp -72.79 -20.9 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.0 109.077 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -81.08 -49.56 10.72 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.889 -1.757 . . . . 0.0 110.945 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -64.99 -26.99 68.53 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.063 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.68 -61.38 1.83 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 0.0 109.778 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -57.11 -31.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.86 -33.43 62.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 109.567 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m -61.98 -53.34 56.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.887 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.58 70.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.39 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.23 -41.08 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 109.083 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -71.96 -36.35 69.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -67.87 -54.53 18.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.188 -0.945 . . . . 0.0 109.673 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 22' ' ' ALA . 9.8 tp -63.67 -36.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.186 -0.946 . . . . 0.0 109.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -66.07 -34.41 78.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.865 . . . . 0.0 109.624 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -71.58 -44.34 64.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.349 -0.844 . . . . 0.0 109.562 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -61.77 -32.9 73.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.185 -0.947 . . . . 0.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 82.8 mt -85.41 -61.02 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.964 -1.085 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . -51.95 -35.85 41.22 Favored Glycine 0 N--CA 1.504 3.229 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.299 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.62 -48.8 13.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.413 -1.639 . . . . 0.0 109.661 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD23 ' C ' ' A' ' 28' ' ' LEU . 7.1 tt -68.44 -53.48 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 109.946 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 26' ' ' GLY . 39.4 p-10 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.962 -1.086 . . . . 0.0 109.878 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 N--CA 1.485 1.029 0 CA-C-O 121.247 0.436 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -86.06 -44.17 12.51 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 110.857 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -45.92 -63.95 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.937 -1.102 . . . . 0.0 110.036 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.3 -21.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.832 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 8' ' ' LEU . 1.7 tt -74.33 -50.15 19.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.025 -1.047 . . . . 0.0 108.431 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -56.11 -33.48 65.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.317 -0.864 . . . . 0.0 109.302 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.69 -58.85 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.0 109.551 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.55 -40.17 3.83 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.292 -1.505 . . . . 0.0 110.953 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -63.22 -44.16 96.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.657 -1.277 . . . . 0.0 109.382 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.59 -47.57 69.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.36 -0.837 . . . . 0.0 109.582 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.5 -40.83 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.928 . . . . 0.0 109.514 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -72.54 -45.13 60.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.278 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -48.29 -49.06 35.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.968 . . . . 0.0 109.86 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.82 -49.88 54.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.474 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -50.33 -51.13 48.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.246 -0.909 . . . . 0.0 109.174 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.72 -34.94 79.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.742 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.5 -44.29 96.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.481 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.06 -44.86 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 109.662 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.98 81.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.799 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -62.63 -44.08 97.2 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.205 -0.935 . . . . 0.0 109.586 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -62.19 -33.88 75.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.17 -58.29 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.954 -1.091 . . . . 0.0 110.197 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.22 70.82 Favored Glycine 0 N--CA 1.504 3.182 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.638 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 t60 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 120.317 -1.696 . . . . 0.0 109.375 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.724 0.297 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -44.62 -55.31 5.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.005 -1.06 . . . . 0.0 110.753 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.54 -19.19 10.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.162 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.505 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -77.26 -52.21 9.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.041 -1.037 . . . . 0.0 108.97 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -60.79 -40.96 94.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.971 . . . . 0.0 109.697 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.52 -36.71 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.122 -0.986 . . . . 0.0 109.663 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -63.87 -41.81 97.66 Favored 'General case' 0 C--O 1.207 -1.179 0 O-C-N 119.918 -1.739 . . . . 0.0 110.968 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 -28.45 68.29 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.625 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -66.94 -59.03 3.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 0.0 110.023 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 14.2 tt -56.23 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.105 -0.997 . . . . 0.0 109.725 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.556 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.6 tt -73.3 -42.47 62.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.345 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 61.6 m -50.91 -50.86 56.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.0 109.981 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.4 97.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.062 -1.024 . . . . 0.0 109.555 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.5 -39.62 70.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -65.03 -40.74 95.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.685 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.72 -54.65 42.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 109.869 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.403 HD13 HG21 ' C' ' 21' ' ' ILE . 12.8 mt -67.02 -47.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.696 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.79 65.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 0.0 109.414 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -63.45 -45.79 89.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.334 -0.854 . . . . 0.0 109.499 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -67.26 -32.93 74.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.946 . . . . 0.0 109.91 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -75.51 -56.27 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 109.885 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.6 91.02 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 119.575 -1.298 . . . . 0.0 109.895 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.77 -36.81 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.507 -1.584 . . . . 0.0 109.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.56 -32.03 42.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -60.94 -38.92 87.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.031 -1.043 . . . . 0.0 110.521 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.47 -40.97 93.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.979 -1.076 . . . . 0.0 110.177 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.604 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.8 tp . . . . . 0 N--CA 1.497 1.88 0 O-C-N 120.927 -1.108 . . . . 0.0 109.0 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 121.244 0.545 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -47.41 -47.49 26.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.959 -1.088 . . . . 0.0 110.641 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 tp -68.13 -19.69 24.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-O 121.337 0.589 . . . . 0.0 109.783 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.86 -43.62 62.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.155 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -67.11 -50.25 62.12 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.56 -34.16 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.116 -0.99 . . . . 0.0 109.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -72.24 -43.27 64.62 Favored 'General case' 0 C--O 1.202 -1.417 0 O-C-N 119.815 -1.803 . . . . 0.0 110.993 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -60.62 -30.8 70.07 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.539 -0.865 . . . . 0.0 108.796 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -68.41 -46.05 70.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.463 -0.773 . . . . 0.0 109.131 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 mm -59.4 -45.02 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.506 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -66.62 -35.93 81.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.904 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -58.31 -51.49 69.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.0 110.232 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.95 -27.72 66.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.972 -1.08 . . . . 0.0 109.964 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -63.4 -52.74 60.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.697 -179.404 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -63.38 -43.62 97.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 110.131 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -56.09 -47.64 77.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 110.184 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mm -69.97 -43.17 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 0.0 109.796 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.86 99.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.123 -0.986 . . . . 0.0 109.899 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -62.99 -43.87 97.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.178 -0.951 . . . . 0.0 109.678 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.8 m -61.87 -34.04 75.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.944 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.33 -60.15 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -37.32 73.55 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.17 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.23 -50.12 43.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.466 -1.608 . . . . 0.0 109.249 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.76 -36.8 85.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 0.0 109.227 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -56.9 -41.6 78.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.927 . . . . 0.0 109.495 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.91 -48.11 82.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.248 -0.907 . . . . 0.0 109.014 179.624 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' GLN . 37.0 t80 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.475 0.179 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 8' ' ' LEU . 65.8 tt0 -46.25 -65.82 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 110.09 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.47 -20.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.047 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.0 tt -74.61 -51.37 14.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.956 -1.09 . . . . 0.0 108.39 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -58.76 -37.9 77.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.261 -0.9 . . . . 0.0 109.387 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.89 -57.77 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.256 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -43.29 -51.24 6.37 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 120.001 -1.687 . . . . 0.0 111.011 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -58.67 -38.53 78.38 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.312 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.29 -41.92 94.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.35 -50.35 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 109.304 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.5 tt -63.83 -40.16 95.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -48.25 -51.18 26.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.11 -0.993 . . . . 0.0 109.683 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.93 65.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.21 -0.931 . . . . 0.0 109.618 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.45 -43.05 79.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.132 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -67.68 -36.51 80.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.713 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.38 -49.08 78.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 22' ' ' ALA . 15.3 tt -77.66 -37.74 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.048 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -68.02 -44.48 76.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.122 -0.986 . . . . 0.0 109.928 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -64.87 -43.67 92.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.197 -0.94 . . . . 0.0 109.788 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -64.65 -35.75 82.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.87 -57.02 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.796 -1.19 . . . . 0.0 109.855 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -33.98 82.58 Favored Glycine 0 N--CA 1.503 3.112 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -77.79 -51.09 11.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.582 -1.54 . . . . 0.0 109.426 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.67 -42.57 95.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.286 -0.884 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.969 . . . . 0.0 109.49 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 CA--C 1.539 0.725 0 N-CA-C 112.739 0.246 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -108.26 -68.48 0.9 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.267 -0.896 . . . . 0.0 111.415 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -45.88 -63.81 0.89 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.831 -1.168 . . . . 0.0 110.62 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -46.88 -22.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 121.172 0.51 . . . . 0.0 109.775 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.12 -48.06 25.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.035 -1.04 . . . . 0.0 108.503 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -56.06 -31.85 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 108.97 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 26.0 mm -66.05 -54.54 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -44.37 -48.96 9.8 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.353 -1.467 . . . . 0.0 110.936 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.0 t -62.05 -41.27 97.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.585 -1.322 . . . . 0.0 109.511 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.31 -49.29 77.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.353 -0.842 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.86 -38.12 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.868 . . . . 0.0 109.596 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.25 -45.45 63.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -47.14 -50.82 19.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.193 -0.942 . . . . 0.0 109.8 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.52 76.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.389 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -52.51 -46.94 66.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 0.0 109.013 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -68.27 -36.31 79.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.99 -55.19 27.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.735 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.37 -35.49 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.58 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.19 71.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -65.34 -46.23 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -66.85 -34.45 77.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.021 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -76.44 -54.1 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.863 -1.148 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -33.92 87.32 Favored Glycine 0 N--CA 1.502 3.078 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 120.548 -1.56 . . . . 0.0 109.076 179.637 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.216 -0.666 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' C' ' 7' ' ' ILE . 9.9 pt20 -56.2 -42.29 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.488 ' N ' ' CG ' ' C' ' 6' ' ' GLN . 8.1 tp -58.79 -22.1 20.41 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.063 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.0 -41.0 26.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.205 -0.934 . . . . 0.0 109.064 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -59.24 -51.42 70.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.575 HD12 ' N ' ' C' ' 10' ' ' ILE . 2.3 mp -69.47 -58.72 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.057 -1.027 . . . . 0.0 109.286 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.6 m -45.41 -49.87 12.89 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 119.914 -1.741 . . . . 0.0 110.971 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -58.91 -37.2 76.1 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.423 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -61.82 -45.48 93.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 109.551 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.04 -45.01 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 109.58 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.17 -36.04 78.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -56.5 -54.61 43.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.049 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -57.8 5.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.054 -1.029 . . . . 0.0 109.702 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.35 -33.71 6.11 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 109.519 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -69.69 -40.67 76.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.709 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -72.08 -51.2 22.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.833 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.2 mm -55.63 -47.91 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.09 74.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.643 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -71.48 -43.5 66.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.825 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 61.4 m -66.8 -32.97 74.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.251 -0.906 . . . . 0.0 110.132 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 85.9 mt -81.45 -55.19 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.888 -1.132 . . . . 0.0 110.023 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.81 92.0 Favored Glycine 0 N--CA 1.503 3.1 0 C-N-CA 119.597 -1.287 . . . . 0.0 109.964 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.08 -44.23 63.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.523 -1.575 . . . . 0.0 109.29 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.45 -35.78 78.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.46 -35.77 70.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.718 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.66 -51.81 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.947 . . . . 0.0 109.596 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.432 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.1 tt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.0 109.09 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -46.2 -52.09 13.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.857 -1.152 . . . . 0.0 110.429 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.12 -18.56 5.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.357 0.599 . . . . 0.0 109.496 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.0 tt -78.5 -53.16 7.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.91 . . . . 0.0 108.786 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.0 p -56.86 -45.13 82.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 0.0 109.679 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' D' ' 11' ' ' SER . 96.2 mt -62.58 -51.5 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.162 -0.962 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.407 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.2 m -42.27 -52.71 4.38 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 120.061 -1.65 . . . . 0.0 110.961 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -59.86 -42.34 93.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.54 -36.38 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.331 -0.855 . . . . 0.0 109.556 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.61 -44.63 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.27 -29.65 62.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.194 -0.941 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 65.5 p -64.36 -43.64 93.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.61 -51.13 11.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.394 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -53.54 -37.95 63.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -69.73 -42.56 73.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -63.02 -57.0 12.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.123 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -59.85 -34.15 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.145 -0.972 . . . . 0.0 110.026 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.18 -22.4 52.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.886 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -80.79 -46.48 15.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.1 -1.0 . . . . 0.0 109.502 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' D' ' 25' ' ' ILE . 3.5 t -63.18 -47.64 81.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.925 . . . . 0.0 109.363 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG2' ' D' ' 24' ' ' THR . 96.7 mt -63.15 -57.62 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.842 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -27.17 67.47 Favored Glycine 0 N--CA 1.501 3.032 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -81.06 -55.88 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.764 -1.433 . . . . 0.0 109.316 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.51 -43.28 55.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.363 -0.835 . . . . 0.0 109.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -55.82 -34.92 65.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.932 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.52 -45.19 94.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.293 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.195 -0.94 . . . . 0.0 109.456 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 120.855 0.36 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -53.9 -26.0 22.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.68 -1.262 . . . . 0.0 110.06 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 tt -72.2 -20.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -79.31 -47.05 16.52 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -57.18 -37.98 72.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -0.808 . . . . 0.0 109.718 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.08 -67.24 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 109.989 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.79 -43.78 8.87 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 120.086 -1.634 . . . . 0.0 110.967 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -61.36 -43.89 98.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.813 -1.18 . . . . 0.0 109.22 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.06 -50.13 74.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.45 -34.73 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 tt -74.01 -43.94 56.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 0.0 109.42 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -50.23 -51.63 42.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.02 . . . . 0.0 109.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -42.03 94.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.02 -1.05 . . . . 0.0 109.578 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.2 tp -50.92 -45.03 60.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.24 -38.11 89.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.494 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.58 -52.76 64.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -70.93 -44.78 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.231 -0.918 . . . . 0.0 109.567 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.75 70.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.7 -43.36 66.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.288 -0.882 . . . . 0.0 109.547 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.4 m -66.17 -35.15 79.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 110.056 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.84 -55.52 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.881 -1.137 . . . . 0.0 109.747 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.28 83.96 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -75.2 -49.64 18.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.588 -1.536 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.23 -41.56 94.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -0.87 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.152 -0.968 . . . . 0.0 109.525 -179.901 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo . . . . . 0 N--CA 1.485 0.983 0 N-CA-C 113.252 0.443 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -74.91 -34.74 62.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.473 -0.767 . . . . 0.0 112.318 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -54.36 -72.45 0.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.147 -1.596 . . . . 0.0 109.988 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -48.68 -20.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-O 121.225 0.536 . . . . 0.0 110.074 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.468 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.3 OUTLIER -73.73 -55.9 5.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.955 . . . . 0.0 109.46 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -57.1 -54.69 43.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 109.798 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.597 HD12 ' N ' ' B' ' 10' ' ' ILE . 1.7 mp -54.15 -36.76 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 108.772 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -57.69 -43.14 84.88 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 120.039 -1.663 . . . . 0.0 110.928 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -61.27 -38.27 86.13 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.352 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -62.01 -49.12 77.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.574 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.1 mt -53.08 -50.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 109.373 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.72 -37.26 81.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.225 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.5 t -51.05 -42.22 60.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.0 65.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.207 -0.933 . . . . 0.0 109.32 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.497 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -58.95 -46.86 86.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.966 . . . . 0.0 108.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -60.42 -42.67 96.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -69.61 -49.8 50.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.925 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.62 -41.27 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.181 -0.95 . . . . 0.0 109.58 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.35 76.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -68.25 -44.86 74.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.633 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -64.63 -33.59 76.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.989 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -80.68 -57.12 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.137 . . . . 0.0 110.118 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -34.47 88.32 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.388 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.627 . . . . 0.0 110.334 -179.564 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 120.764 0.316 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -46.13 -50.32 15.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.859 -1.151 . . . . 0.0 110.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -55.93 -23.02 14.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.66 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.507 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -74.5 -44.92 49.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 108.732 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -59.5 -35.52 74.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.3 -0.875 . . . . 0.0 109.725 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.14 -55.35 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -0.975 . . . . 0.0 109.523 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -46.15 -45.93 16.94 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.048 -1.658 . . . . 0.0 110.959 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.64 -33.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.685 -1.26 . . . . 0.0 109.405 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.58 -40.06 84.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.438 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.82 -49.14 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.28 -24.82 67.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.12 -0.987 . . . . 0.0 109.087 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 10.1 p -65.18 -50.78 64.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 109.577 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.46 68.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.68 -39.78 89.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -64.51 -45.57 86.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -56.05 -49.98 72.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 0.0 110.016 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.68 -53.01 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.016 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.18 67.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.232 -0.918 . . . . 0.0 110.142 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -62.77 -44.4 96.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.793 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -65.29 -33.04 75.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.856 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 93.2 mt -76.04 -59.17 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.978 -1.076 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -35.61 92.32 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.101 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.25 -49.61 41.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.505 -1.586 . . . . 0.0 109.382 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.37 -35.81 80.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -60.41 -37.98 82.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.641 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -59.09 -45.91 89.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.59 ' O ' HG23 ' C' ' 31' ' ' ILE . 10.8 tp . . . . . 0 N--CA 1.497 1.877 0 O-C-N 121.224 -0.922 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.503 2.223 0 CA-C-O 121.18 0.514 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -50.94 -28.35 9.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.044 -1.035 . . . . 0.0 110.206 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 17.5 tt -72.86 -20.95 19.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.239 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.416 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.9 tt -79.63 -48.58 13.51 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -56.3 -38.87 71.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' D' ' 11' ' ' SER . 93.3 mt -65.81 -64.5 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.665 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' D' ' 10' ' ' ILE . 97.5 p -44.41 -36.97 3.12 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.119 -1.613 . . . . 0.0 110.986 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -62.67 -41.99 99.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.068 -1.02 . . . . 0.0 109.075 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -59.23 -38.23 79.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.0 109.081 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -63.1 -37.86 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.231 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.702 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 -58.88 5.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.202 -0.936 . . . . 0.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.92 94.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.086 -1.009 . . . . 0.0 109.716 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.68 -44.51 96.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 0.0 109.383 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -67.09 -37.23 83.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.873 . . . . 0.0 109.709 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -59.35 -52.22 66.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 109.934 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.2 -43.86 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.0 109.883 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.3 93.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.158 -0.964 . . . . 0.0 109.941 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -66.87 -44.99 79.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.935 . . . . 0.0 109.892 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 51.5 m -60.79 -34.08 73.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 0.0 110.223 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.408 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.5 mt -78.37 -60.72 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.842 -1.161 . . . . 0.0 110.114 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.71 -36.22 91.27 Favored Glycine 0 N--CA 1.503 3.124 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.038 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.99 -49.43 57.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.528 -1.572 . . . . 0.0 109.143 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.34 -37.42 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.0 109.082 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.4 m120 -58.51 -37.78 76.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.2 -46.04 92.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.189 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 120.805 0.335 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -46.11 -51.0 14.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.85 -1.156 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -59.46 -17.05 11.74 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.149 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.8 tt -82.1 -55.05 4.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.079 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 p -56.3 -42.74 78.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 0.0 109.45 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' SER . 96.2 mt -62.74 -54.08 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 0.0 109.285 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -42.05 -51.03 4.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 120.118 -1.614 . . . . 0.0 110.925 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -57.53 -40.81 79.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -0.858 . . . . 0.0 109.487 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.56 -39.73 73.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.0 109.69 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.03 -47.27 91.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 0.0 109.645 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.8 tt -68.78 -42.66 77.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.264 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m -47.97 -46.94 33.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.122 -0.986 . . . . 0.0 109.761 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -48.88 68.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.279 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -48.59 -55.3 11.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 109.17 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -57.87 -39.04 76.87 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -57.58 -45.48 85.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.172 -0.955 . . . . 0.0 109.569 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.95 -47.58 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.973 . . . . 0.0 109.618 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.96 74.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.0 109.747 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -69.36 -44.94 70.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.219 -0.925 . . . . 0.0 109.476 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.95 -33.16 74.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.962 . . . . 0.0 109.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -76.22 -61.25 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.983 -1.073 . . . . 0.0 110.034 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.0 90.71 Favored Glycine 0 N--CA 1.503 3.149 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.238 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.93 -47.83 49.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.486 -1.597 . . . . 0.0 109.269 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.84 -38.62 91.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.322 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.192 -0.943 . . . . 0.0 109.622 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 N--CA 1.482 0.797 0 N-CA-C 113.058 0.369 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -104.26 -61.46 1.44 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.106 -0.996 . . . . 0.0 111.014 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.87 -29.67 42.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.716 -1.24 . . . . 0.0 110.059 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 tt -70.15 -21.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.055 0 O-C-N 121.575 -0.703 . . . . 0.0 109.272 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 8' ' ' LEU . 4.2 tt -79.85 -47.8 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.6 p -57.31 -35.9 70.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.634 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.22 -63.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.127 -0.983 . . . . 0.0 109.71 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.79 -39.19 5.06 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 119.986 -1.696 . . . . 0.0 110.969 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -67.66 -42.15 82.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.145 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.16 -49.34 77.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.217 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.21 -35.46 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.264 -0.898 . . . . 0.0 109.34 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.61 -43.14 66.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.0 108.977 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -49.14 -52.89 23.52 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.169 -0.957 . . . . 0.0 109.809 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.23 88.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.98 -47.32 44.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.969 . . . . 0.0 109.004 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -59.75 -42.18 92.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.251 -0.906 . . . . 0.0 109.72 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -59.85 -46.06 90.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.596 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mm -69.83 -49.41 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 109.447 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.88 49.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.898 . . . . 0.0 109.757 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -76.21 -49.3 17.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.185 -0.947 . . . . 0.0 109.52 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.9 m -64.62 -31.62 72.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.55 -58.89 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.53 77.82 Favored Glycine 0 N--CA 1.503 3.162 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.176 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 120.473 -1.604 . . . . 0.0 109.153 179.779 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.879 0.371 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -65.94 -39.21 90.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.542 -1.349 . . . . 0.0 110.019 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tp -60.05 -20.3 19.56 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.67 -43.4 18.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -57.18 -37.09 71.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 109.177 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.05 -64.21 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -47.66 -49.6 27.05 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.134 -1.604 . . . . 0.0 110.998 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.2 t -61.53 -43.66 98.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 109.687 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -51.93 -51.21 58.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.133 -0.979 . . . . 0.0 109.496 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.65 -37.33 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.88 -41.13 75.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.155 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -52.36 -56.99 11.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.269 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.59 98.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.913 -1.117 . . . . 0.0 109.815 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.42 -39.41 60.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.205 -0.934 . . . . 0.0 109.346 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -69.93 -48.36 58.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.284 -0.885 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -63.01 -52.32 63.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.0 110.048 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.555 HD13 ' O ' ' C' ' 21' ' ' ILE . 0.2 OUTLIER -60.32 -44.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.982 -1.074 . . . . 0.0 108.912 -179.703 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' C' ' 21' ' ' ILE . . . -63.97 -35.28 80.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -63.43 -43.93 96.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.499 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 85.5 m -65.09 -31.83 73.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.7 -59.72 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.72 -35.55 92.06 Favored Glycine 0 N--CA 1.502 3.065 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.484 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.349 -1.677 . . . . 0.0 109.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.77 -36.4 78.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.312 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -57.91 -37.01 73.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.0 109.683 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -54.16 -41.88 68.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.226 -0.921 . . . . 0.0 109.471 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 122.18 0.991 . . . . 0.0 109.097 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.165 0.507 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -49.57 -42.36 44.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 109.911 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.38 -20.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.3 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.501 HD23 ' O ' ' D' ' 8' ' ' LEU . 5.0 tt -74.84 -51.85 12.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.929 . . . . 0.0 108.653 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 27.7 p -57.77 -37.57 73.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.338 -0.851 . . . . 0.0 110.163 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.14 -62.5 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.005 -1.059 . . . . 0.0 109.8 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -42.88 -47.06 5.54 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 119.931 -1.73 . . . . 0.0 110.962 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 21.3 p -61.41 -37.59 84.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.655 -1.278 . . . . 0.0 109.682 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.67 -42.46 92.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.587 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.44 -40.94 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 109.248 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.553 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.6 tt -69.31 -44.66 71.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -48.62 -49.75 35.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.869 . . . . 0.0 110.061 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.92 81.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.095 -1.003 . . . . 0.0 109.738 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.89 -48.44 79.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.298 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.59 -36.83 85.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.24 -48.47 80.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.593 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -45.11 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 109.667 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.04 83.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.615 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.34 -43.46 90.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -60.69 -33.98 73.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.84 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.6 mt -78.89 -62.34 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 110.053 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.86 82.31 Favored Glycine 0 N--CA 1.503 3.126 0 C-N-CA 119.71 -1.233 . . . . 0.0 110.277 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -71.01 -52.47 19.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.47 -1.606 . . . . 0.0 109.322 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.21 -37.9 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.223 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 22.4 m120 -62.25 -38.75 90.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -57.66 -42.71 84.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 109.156 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 179.76 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.706 0.289 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.473 ' OE1' ' CG1' ' A' ' 10' ' ' ILE . 1.4 tm0? -45.99 -64.02 0.84 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 110.499 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -51.08 -21.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.9 tt -72.12 -52.82 14.91 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.78 -1.2 . . . . 0.0 108.535 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -53.1 -37.81 62.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 109.115 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CG1' ' OE1' ' A' ' 6' ' ' GLN . 33.0 mm -58.22 -53.95 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.0 109.255 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.59 -47.0 10.31 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 120.377 -1.452 . . . . 0.0 110.999 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -61.13 -42.06 97.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.748 -1.22 . . . . 0.0 109.24 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.68 -50.53 70.79 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.376 -0.828 . . . . 0.0 109.454 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.97 -38.71 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.333 -0.854 . . . . 0.0 109.648 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 15' ' ' LEU . 2.1 tt -71.47 -48.6 48.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -45.91 -46.24 15.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.75 70.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 109.45 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -54.19 -48.57 70.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.88 -33.41 74.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.351 -0.843 . . . . 0.0 109.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.02 -51.68 68.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.205 -0.934 . . . . 0.0 109.694 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -75.66 -44.96 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.761 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.78 85.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -64.79 -43.49 93.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.906 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.8 m -65.3 -34.21 77.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.843 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -79.8 -57.8 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.938 -1.101 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.73 -34.3 86.13 Favored Glycine 0 N--CA 1.503 3.134 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.246 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -76.57 -49.65 15.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.537 -1.566 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.6 -41.46 96.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.488 1.182 0 N-CA-C 114.009 0.734 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -105.77 -46.21 4.2 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.237 -0.914 . . . . 0.0 111.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.3 -22.26 29.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.863 -1.148 . . . . 0.0 110.135 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 tt -73.59 -20.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.327 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.68 -47.45 9.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.86 . . . . 0.0 108.794 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -54.8 -50.16 69.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.966 . . . . 0.0 109.287 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' B' ' 11' ' ' SER . 94.2 mt -68.18 -58.44 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.938 . . . . 0.0 109.55 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.2 m -40.63 -50.27 3.02 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 120.053 -1.654 . . . . 0.0 110.956 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -58.01 -41.06 82.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.197 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -54.25 -43.6 71.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -61.14 -44.79 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.469 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.8 -37.07 83.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.0 109.459 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.1 t -55.29 -56.16 23.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.0 109.714 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.35 64.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.101 -1.0 . . . . 0.0 109.498 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.485 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.38 -46.13 25.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 109.156 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -63.94 -48.76 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -53.84 -49.93 67.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 23' ' ' TRP . 30.6 mm -68.46 -62.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.8 -21.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.42 -0.8 . . . . 0.0 110.438 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.466 ' N ' ' O ' ' B' ' 21' ' ' ILE . 40.4 t-105 -84.09 -48.03 10.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.043 -1.035 . . . . 0.0 109.779 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 59.6 m -65.72 -35.33 80.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.593 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.633 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.5 mp -80.41 -49.66 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.71 -1.244 . . . . 0.0 109.805 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.97 -29.66 74.93 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.791 -1.195 . . . . 0.0 110.455 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 120.443 -1.622 . . . . 0.0 109.302 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 120.935 0.398 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -48.28 -31.31 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.642 -1.287 . . . . 0.0 110.673 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -69.02 -25.05 29.04 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.026 0 O-C-N 121.314 -0.866 . . . . 0.0 109.306 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -75.06 -38.99 61.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -57.7 -44.52 85.92 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.563 -0.711 . . . . 0.0 109.616 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' C' ' 11' ' ' SER . 77.3 mt -63.71 -56.24 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.178 -0.951 . . . . 0.0 109.536 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' C' ' 10' ' ' ILE . 75.5 m -43.52 -47.22 7.24 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 119.987 -1.696 . . . . 0.0 110.988 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -40.71 87.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 109.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.84 -44.91 95.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.438 -0.789 . . . . 0.0 109.799 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.89 -42.26 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.877 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -70.08 -34.94 73.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.713 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' C' ' 17' ' ' ALA . 10.4 p -61.55 -57.18 13.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 109.948 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ALA . . . . . 0.46 ' N ' ' OG ' ' C' ' 16' ' ' SER . . . -64.42 -50.63 66.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.927 . . . . 0.0 109.439 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -48.43 -44.43 35.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.242 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.06 -34.74 71.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.23 -0.919 . . . . 0.0 109.464 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.27 -54.91 25.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.908 . . . . 0.0 109.934 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.419 HG23 ' N ' ' C' ' 22' ' ' ALA . 16.4 tt -66.68 -35.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 109.893 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.419 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -65.88 -40.58 91.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.07 -43.37 95.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.267 -0.896 . . . . 0.0 109.634 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -64.21 -35.34 80.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.271 -0.893 . . . . 0.0 110.055 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 88.1 mt -79.67 -57.07 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.785 -1.197 . . . . 0.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -35.25 85.88 Favored Glycine 0 N--CA 1.503 3.15 0 C-N-CA 119.611 -1.281 . . . . 0.0 109.975 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.74 -48.49 38.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.564 -1.55 . . . . 0.0 109.229 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.04 -36.69 80.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.112 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -57.06 -40.58 77.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.569 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.85 -50.39 72.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.212 -0.93 . . . . 0.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.579 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.6 tp . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 109.099 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 t80 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 120.593 0.235 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -45.97 -52.1 12.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.801 -1.187 . . . . 0.0 110.424 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.27 -17.47 6.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 121.233 0.539 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.434 HD23 ' C ' ' D' ' 8' ' ' LEU . 4.1 tt -82.43 -55.26 4.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 0.0 109.221 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p -54.72 -45.22 74.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.394 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' D' ' 11' ' ' SER . 79.1 mt -61.42 -49.65 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.211 -0.931 . . . . 0.0 109.141 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.1 m -41.96 -55.17 3.23 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 120.132 -1.605 . . . . 0.0 110.988 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -54.41 -44.03 72.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.504 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.43 -46.64 76.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -0.875 . . . . 0.0 109.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.16 -41.79 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.77 -32.39 72.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.33 -0.856 . . . . 0.0 109.581 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' D' ' 17' ' ' ALA . 24.0 p -61.91 -57.11 13.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 109.855 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 17' ' ' ALA . . . . . 0.426 ' N ' ' OG ' ' D' ' 16' ' ' SER . . . -61.47 -49.04 78.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.122 -0.986 . . . . 0.0 109.514 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 tp -51.66 -47.14 63.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.892 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -72.36 -32.41 66.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -58.23 -48.83 79.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -76.39 -49.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.947 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.23 72.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.992 . . . . 0.0 109.734 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.42 -43.73 92.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.437 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.9 m -64.46 -34.25 77.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 0.0 109.927 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -58.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.884 -1.135 . . . . 0.0 109.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.3 87.43 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.722 -1.227 . . . . 0.0 110.286 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.48 -53.12 9.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.437 -1.625 . . . . 0.0 109.506 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.67 -44.34 96.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.0 109.428 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -54.71 -39.04 67.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 109.391 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.86 -46.8 84.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.0 109.272 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.343 -0.848 . . . . 0.0 109.287 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 N--CA 1.499 2.007 0 CA-C-O 120.691 0.281 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.411 ' OE1' ' OG ' ' A' ' 9' ' ' SER . 5.5 tp-100 -46.82 -62.73 1.26 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.871 -1.143 . . . . 0.0 110.015 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 tt -47.77 -21.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.057 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.6 tt -72.84 -54.89 7.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.897 -1.127 . . . . 0.0 108.289 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 6' ' ' GLN . 88.1 p -51.14 -34.56 31.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.349 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.42 -59.83 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.164 -0.96 . . . . 0.0 109.444 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -44.52 -34.58 2.15 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.219 -1.551 . . . . 0.0 110.975 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -68.74 -42.65 77.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.585 -1.322 . . . . 0.0 109.685 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -63.39 -52.63 60.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.302 -0.874 . . . . 0.0 109.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.3 -39.07 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.477 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.9 tt -71.79 -45.95 59.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.445 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.7 p -48.78 -48.0 41.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.274 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.69 52.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.973 -1.079 . . . . 0.0 109.779 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.76 -43.5 69.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.928 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -69.53 -32.68 71.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.39 -51.09 67.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 0.0 109.5 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.18 -49.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.823 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.47 67.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.17 -0.956 . . . . 0.0 109.69 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.72 -42.5 70.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -63.87 -35.65 81.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.07 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.5 mt -81.18 -56.93 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.75 -1.219 . . . . 0.0 109.986 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.1 78.52 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.592 -1.289 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -77.21 -54.74 6.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.523 -1.575 . . . . 0.0 109.228 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.0 tt -59.52 -49.47 77.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -0.873 . . . . 0.0 109.126 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.486 1.072 0 CA-C-O 121.189 0.412 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 8' ' ' LEU . 79.1 t80 -93.02 -58.59 2.28 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.628 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLN . . . . . 0.469 ' OE1' ' CD1' ' B' ' 10' ' ' ILE . 1.4 tm0? -49.8 -42.0 45.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 109.957 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.4 tt -61.59 -21.2 24.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.49 ' O ' HD23 ' B' ' 8' ' ' LEU . 2.8 tt -76.04 -43.16 45.28 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -56.67 -52.81 63.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.316 -0.865 . . . . 0.0 109.67 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.469 ' CD1' ' OE1' ' B' ' 6' ' ' GLN . 96.7 mt -56.7 -55.16 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.082 -1.011 . . . . 0.0 109.478 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.3 m -41.16 -45.87 2.91 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 120.086 -1.634 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -60.92 -44.47 97.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -54.59 -43.46 72.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.46 -47.74 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.274 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.51 -33.09 74.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -58.72 -56.67 19.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.0 109.727 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.19 72.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.129 -0.982 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.488 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.3 OUTLIER -48.88 -51.29 30.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.034 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' C ' ' B' ' 19' ' ' HIS . 10.5 t-80 -64.95 -40.75 95.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -0.924 . . . . 0.0 109.761 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.24 -49.74 76.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.102 -0.999 . . . . 0.0 109.667 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -71.44 -44.49 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.06 -1.025 . . . . 0.0 109.393 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.32 86.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.202 -0.936 . . . . 0.0 109.61 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -67.21 -44.37 79.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.206 -0.934 . . . . 0.0 109.189 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 40.0 m -63.09 -34.29 77.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.579 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.06 -61.3 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.08 -36.55 74.91 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.546 -1.561 . . . . 0.0 109.048 179.602 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.502 2.156 0 CA-C-O 120.67 0.271 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -52.94 -28.47 23.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.625 -1.297 . . . . 0.0 109.592 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -71.61 -19.42 20.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.42 HD23 ' C ' ' C' ' 8' ' ' LEU . 7.5 tt -81.92 -49.49 10.25 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t -55.68 -41.64 74.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.85 . . . . 0.0 109.128 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' C' ' 11' ' ' SER . 84.9 mt -71.58 -52.87 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.322 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.9 m -43.37 -50.2 6.84 Favored 'General case' 0 C--O 1.205 -1.279 0 O-C-N 120.1 -1.625 . . . . 0.0 111.006 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -59.69 -44.74 93.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.657 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.35 -52.81 42.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.907 . . . . 0.0 109.516 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.5 mt -53.83 -45.03 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.541 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.538 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.2 tt -65.88 -39.02 90.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -51.21 -47.69 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.006 . . . . 0.0 109.74 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.35 78.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.108 -0.995 . . . . 0.0 109.402 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.3 -42.36 77.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.245 -0.91 . . . . 0.0 109.037 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.66 -45.67 93.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.641 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -56.81 -55.42 34.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.43 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.0 -59.73 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.26 -0.9 . . . . 0.0 109.245 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.93 -28.46 1.13 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.972 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -71.93 -44.11 64.16 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.158 -0.964 . . . . 0.0 109.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -63.42 -36.02 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 110.063 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.592 HD12 ' N ' ' C' ' 25' ' ' ILE . 1.8 mp -79.64 -57.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.831 -1.168 . . . . 0.0 109.401 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.51 71.81 Favored Glycine 0 N--CA 1.503 3.163 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.195 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.37 -49.45 16.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.528 -1.572 . . . . 0.0 109.531 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.5 -38.94 93.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.47 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ASN . . . . . 0.533 HD21 ' C ' ' C' ' 29' ' ' ASN . 0.3 OUTLIER -50.45 -38.84 45.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -55.32 -48.73 73.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 122.231 1.015 . . . . 0.0 108.486 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -50.48 -56.1 13.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.068 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.8 -34.26 30.39 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.779 -1.2 . . . . 0.0 109.512 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -63.26 -46.37 87.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.463 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.92 -49.79 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.053 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -44.55 -49.01 10.29 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 119.74 -1.85 . . . . 0.0 110.986 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -65.69 -42.51 91.13 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.791 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -53.12 -49.6 66.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 110.193 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 29.7 pt -66.23 -31.82 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.93 -1.106 . . . . 0.0 109.64 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.56 -35.83 65.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -62.34 -60.54 3.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.275 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.54 76.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.563 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 39.1 tp -57.18 -35.32 69.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.176 -0.953 . . . . 0.0 109.216 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -77.89 -35.92 50.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.19 -0.944 . . . . 0.0 109.595 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.99 -46.15 75.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' ILE . . . . . 0.488 HG23 ' N ' ' D' ' 22' ' ' ALA . 21.1 tt -71.42 -39.79 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.965 . . . . 0.0 109.893 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ALA . . . . . 0.488 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -68.42 -41.82 79.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.182 -0.948 . . . . 0.0 109.803 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -62.78 -45.26 93.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.129 -0.982 . . . . 0.0 109.682 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -63.75 -33.38 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 110.079 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.9 mt -81.35 -57.59 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.925 -1.109 . . . . 0.0 109.995 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.05 -35.7 91.16 Favored Glycine 0 N--CA 1.504 3.232 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.371 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -71.3 -47.53 56.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.436 -1.626 . . . . 0.0 109.072 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -39.17 87.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.247 -0.908 . . . . 0.0 108.853 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.8 m120 -57.98 -38.86 76.86 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.319 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.93 -42.77 94.68 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.223 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt . . . . . 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' LEU . 47.9 tt0 -45.99 -65.06 0.6 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.86 -1.15 . . . . 0.0 110.086 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tp -44.98 -22.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.0 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.5 tt -74.75 -41.71 59.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.942 -1.099 . . . . 0.0 108.403 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.0 p -62.45 -39.02 92.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.5 mp -62.29 -59.31 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -43.72 -42.19 5.27 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 120.143 -1.598 . . . . 0.0 111.009 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -70.7 -45.16 65.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.679 -1.263 . . . . 0.0 109.393 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.67 -46.2 89.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.617 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.74 -41.04 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.234 -0.916 . . . . 0.0 109.622 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.1 tt -72.68 -39.9 66.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 m -53.59 -45.99 70.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.063 -1.023 . . . . 0.0 109.956 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -49.02 50.17 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 109.596 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.68 -38.2 69.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.48 -40.33 92.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.934 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.44 -52.52 64.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.112 -0.993 . . . . 0.0 109.823 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.08 -39.18 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.96 85.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 109.76 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -66.87 -44.74 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 m -65.11 -33.99 77.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.97 -57.74 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.948 -1.095 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.67 -34.33 89.3 Favored Glycine 0 N--CA 1.503 3.148 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.247 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.48 -49.61 31.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.472 -1.605 . . . . 0.0 109.354 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.31 -35.49 62.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.223 -0.923 . . . . 0.0 109.376 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.482 0.833 0 CA-C-O 121.08 0.367 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -99.13 -40.82 7.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.777 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -46.32 -67.18 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.596 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.1 tt -58.45 -19.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.236 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.488 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -71.58 -54.68 9.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 108.925 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -59.51 -31.34 69.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.32 -59.89 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -44.85 -49.3 10.94 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 120.42 -1.425 . . . . 0.0 110.965 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -64.32 -40.94 96.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.868 -1.145 . . . . 0.0 109.478 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.91 -43.83 91.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.656 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.05 -52.13 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.454 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 15' ' ' LEU . 2.3 tt -61.82 -44.65 96.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.064 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -45.99 -57.12 4.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.79 93.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.175 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.3 OUTLIER -49.74 -53.97 21.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.03 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -36.94 76.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.72 -48.75 79.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 109.565 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.75 -43.77 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.18 98.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.712 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -63.28 -45.48 91.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 0.0 109.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -63.15 -33.94 76.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -0.931 . . . . 0.0 109.842 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.23 -58.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.92 -1.113 . . . . 0.0 110.057 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.54 76.94 Favored Glycine 0 N--CA 1.503 3.121 0 C-N-CA 119.88 -1.153 . . . . 0.0 110.504 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 120.405 -1.644 . . . . 0.0 109.512 -179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 77.5 t80 . . . . . 0 N--CA 1.499 1.985 0 CA-C-O 121.239 0.543 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 6' ' ' GLN . . . . . 0.607 ' NE2' ' H ' ' C' ' 7' ' ' ILE . 1.5 pm0 -52.07 -26.81 11.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.912 -1.118 . . . . 0.0 109.836 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.607 ' H ' ' NE2' ' C' ' 6' ' ' GLN . 8.2 tp -72.04 -23.36 21.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -74.0 -43.25 58.69 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -69.54 -52.05 29.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.429 -0.794 . . . . 0.0 109.453 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.5 mt -53.62 -39.74 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -67.71 -44.73 76.99 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 119.969 -1.707 . . . . 0.0 111.008 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -62.45 -24.32 67.37 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.364 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -76.96 -63.78 1.28 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.766 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.88 -32.81 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 0.0 109.685 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.56 -38.64 59.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -0.92 . . . . 0.0 109.505 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -55.69 -54.63 41.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 0.0 109.954 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.95 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.113 -0.992 . . . . 0.0 109.619 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 tp -48.26 -46.22 35.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.0 109.665 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.63 -33.96 76.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.0 110.163 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.58 -48.95 79.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 pt -72.49 -31.49 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.108 -0.995 . . . . 0.0 110.143 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.443 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -73.05 -25.07 60.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.034 -1.041 . . . . 0.0 109.603 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -77.42 -47.97 18.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.295 -0.878 . . . . 0.0 109.697 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -67.41 -33.28 74.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.854 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.41 -54.58 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.894 -1.129 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.44 86.49 Favored Glycine 0 N--CA 1.502 3.046 0 C-N-CA 119.605 -1.283 . . . . 0.0 109.933 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -76.12 -48.79 19.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.582 -1.54 . . . . 0.0 109.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.77 -41.99 91.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.17 -37.67 75.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.55 -50.43 73.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 109.533 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.596 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.1 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.23 -0.919 . . . . 0.0 109.241 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.501 2.075 0 CA-C-O 120.657 0.265 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -54.74 -27.74 43.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.648 -1.282 . . . . 0.0 110.297 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -71.98 -20.54 20.38 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.499 HD23 ' C ' ' D' ' 8' ' ' LEU . 6.0 tt -80.97 -51.9 8.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.2 t -57.23 -53.03 62.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.312 -0.868 . . . . 0.0 109.687 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.46 -53.94 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.97 . . . . 0.0 109.672 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.32 -43.83 11.08 Favored 'General case' 0 C--O 1.208 -1.097 0 O-C-N 119.877 -1.765 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -62.68 -46.79 86.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.45 -0.782 . . . . 0.0 109.839 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.73 -48.17 80.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 109.535 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.26 -45.05 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 0.0 109.736 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.533 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.0 OUTLIER -67.67 -41.89 83.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.201 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -47.79 -49.86 27.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.973 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.67 -52.32 52.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.74 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.89 -49.75 62.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.897 . . . . 0.0 109.517 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -63.33 -38.25 90.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 0.0 109.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.91 -50.58 72.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.63 -40.55 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.205 -0.934 . . . . 0.0 109.968 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.4 70.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.0 109.997 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' TRP . . . . . 0.443 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 45.6 t-105 -78.76 -44.72 22.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.572 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -63.01 -33.74 76.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.85 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.17 -60.85 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.889 -1.132 . . . . 0.0 110.017 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -34.22 87.06 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.737 -1.221 . . . . 0.0 110.165 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.23 -50.02 30.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.483 -1.598 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.03 -44.13 93.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -54.07 -41.6 68.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -56.21 -44.99 80.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.212 -0.93 . . . . 0.0 109.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.207 -0.933 . . . . 0.0 109.574 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.5 t80 . . . . . 0 N--CA 1.502 2.136 0 CA-C-O 120.861 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.61 -22.15 43.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.742 -1.224 . . . . 0.0 110.206 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.28 -20.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 O-C-N 121.505 -0.747 . . . . 0.0 109.396 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.53 -48.53 9.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 108.7 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -49.08 71.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' SER . 62.5 mt -72.76 -55.14 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.711 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' ILE . 71.0 m -43.08 -49.85 6.18 Favored 'General case' 0 C--O 1.207 -1.174 0 O-C-N 119.938 -1.726 . . . . 0.0 110.995 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -63.58 -43.21 97.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.397 -0.814 . . . . 0.0 109.839 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -58.04 -48.28 80.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.803 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.44 -42.04 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.452 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.52 -38.19 71.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 109.091 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 m -51.2 -42.94 61.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.178 -0.951 . . . . 0.0 109.777 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.67 59.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.119 -0.988 . . . . 0.0 109.579 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.6 -42.2 78.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.507 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -67.83 -36.47 80.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 109.792 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.47 -48.82 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.787 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.07 -41.16 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 109.807 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.94 79.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.685 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -74.04 -43.93 56.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -64.36 -36.6 84.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 110.128 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.99 -55.74 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.774 -1.204 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.42 86.55 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -72.73 -45.45 58.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.563 -1.551 . . . . 0.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.82 -31.98 65.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.395 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 109.618 -179.889 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 N--CA 1.485 1.014 0 CA-C-O 121.28 0.45 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -83.2 -44.51 14.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.202 -0.936 . . . . 0.0 110.97 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -45.44 -63.98 0.83 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.963 -1.085 . . . . 0.0 110.249 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -46.99 -22.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.044 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.532 ' O ' HD23 ' B' ' 8' ' ' LEU . 1.2 tt -74.71 -43.42 55.18 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.013 -1.055 . . . . 0.0 108.577 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -60.34 -41.5 93.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.314 -0.866 . . . . 0.0 109.689 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.551 HD12 ' N ' ' B' ' 10' ' ' ILE . 1.9 mp -61.0 -59.58 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.083 -1.01 . . . . 0.0 109.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.6 m -43.64 -39.79 3.77 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.045 -1.659 . . . . 0.0 110.977 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -60.54 -42.75 97.16 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.815 -1.178 . . . . 0.0 109.14 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -62.57 -38.02 88.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 109.751 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.31 -46.99 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.22 -30.91 71.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 0.0 109.633 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 54.9 m -60.29 -53.42 57.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.975 . . . . 0.0 109.9 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -50.48 62.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 109.573 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -51.18 -42.27 60.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.0 109.446 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -70.77 -35.96 72.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.562 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -66.58 -56.71 9.5 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.593 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -61.51 -35.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.401 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.56 -44.15 68.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.777 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -64.43 -44.7 90.36 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.199 -0.938 . . . . 0.0 109.527 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.1 m -61.07 -32.92 72.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.128 -0.983 . . . . 0.0 109.902 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.84 -59.47 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.886 -1.134 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.12 -34.28 72.6 Favored Glycine 0 N--CA 1.504 3.2 0 C-N-CA 119.859 -1.162 . . . . 0.0 110.71 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' B' ' 27' ' ' HIS . 8.0 t-80 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 120.401 -1.647 . . . . 0.0 109.658 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 35.4 t80 . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 6' ' ' GLN . . . . . 0.483 ' OE1' ' CG1' ' C' ' 10' ' ' ILE . 1.4 tm0? -44.77 -62.45 1.21 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.0 -1.063 . . . . 0.0 110.612 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.43 -21.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.298 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.1 tt -70.43 -47.5 60.44 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.802 -1.186 . . . . 0.0 108.684 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.34 -31.01 72.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.102 -0.999 . . . . 0.0 109.803 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.483 ' CG1' ' OE1' ' C' ' 6' ' ' GLN . 35.5 mm -63.73 -59.55 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.065 -1.022 . . . . 0.0 110.101 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -49.83 -43.92 49.08 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 120.192 -1.568 . . . . 0.0 110.981 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -65.0 -40.46 94.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.531 -1.356 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.77 -46.47 78.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.515 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.48 -42.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 109.612 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.53 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.61 -41.72 75.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 109.433 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.5 p -49.82 -50.56 44.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.0 109.781 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.72 75.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.0 109.395 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.46 -46.75 70.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.915 . . . . 0.0 108.998 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -61.96 -35.43 78.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.411 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.68 -50.33 71.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.0 109.725 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.06 -45.88 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 109.922 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.77 73.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 0.0 109.706 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -66.66 -46.29 76.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.183 -0.948 . . . . 0.0 109.535 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -60.94 -32.88 72.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.985 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.65 -64.77 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -35.86 88.65 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.644 -1.265 . . . . 0.0 110.17 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.07 -49.64 49.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.465 -1.609 . . . . 0.0 109.355 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.12 -35.13 80.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.335 -0.853 . . . . 0.0 109.488 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -56.7 -35.57 68.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 0.0 109.664 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.25 -51.08 70.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 0.0 109.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.45 ' O ' HG23 ' C' ' 31' ' ' ILE . 13.1 tt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.156 -0.965 . . . . 0.0 109.04 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -48.69 -53.27 19.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -57.73 -20.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.104 0 CA-C-O 121.264 0.554 . . . . 0.0 109.841 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.4 tt -71.49 -48.57 48.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -42.07 84.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.396 -0.815 . . . . 0.0 109.42 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' D' ' 11' ' ' SER . 28.0 mm -54.32 -59.6 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.072 -1.018 . . . . 0.0 109.137 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.412 ' C ' ' O ' ' D' ' 10' ' ' ILE . 70.7 m -43.95 -48.05 8.57 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 120.13 -1.606 . . . . 0.0 110.973 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -60.45 -40.59 91.68 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.584 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.634 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.07 -39.4 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.487 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.563 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.6 tt -72.15 -43.44 64.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.0 109.299 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -50.39 -47.78 56.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 110.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.07 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.954 . . . . 0.0 109.767 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.54 -49.48 75.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 109.405 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.46 -36.6 82.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.182 -0.949 . . . . 0.0 109.718 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.16 -50.99 71.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.946 . . . . 0.0 109.773 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -74.49 -37.62 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.203 -0.936 . . . . 0.0 109.807 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.55 73.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -71.55 -46.63 58.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.714 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -62.33 -32.35 73.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.795 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.06 -61.51 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.968 -1.083 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.86 88.37 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.617 -1.277 . . . . 0.0 109.976 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -72.17 -57.3 4.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.501 -1.588 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.28 -44.4 75.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.287 -0.883 . . . . 0.0 108.959 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -57.3 -40.26 77.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.342 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.33 -44.74 88.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.56 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 59.7 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.9 tt 84.37 -60.85 0.1 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.897 -0.502 . . . . 0.0 110.337 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.4 mt-10 -74.46 -43.55 5.52 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 76.7 Cg_endo -101.3 -9.22 0.26 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 123.205 2.603 . . . . 0.0 112.734 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 43.0 t80 -110.76 -62.91 1.46 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.344 -0.847 . . . . 0.0 110.878 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -52.87 -26.03 13.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.79 -1.194 . . . . 0.0 110.061 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.68 -19.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 O-C-N 121.615 -0.678 . . . . 0.0 109.502 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 8' ' ' LEU . 4.8 tt -83.41 -48.89 9.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -57.38 -51.46 69.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.0 109.752 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 86.2 mt -64.04 -55.83 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.71 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.2 m -42.95 -50.6 5.82 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 119.932 -1.73 . . . . 0.0 110.96 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -59.33 -41.23 88.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 0.0 109.601 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -55.37 -46.49 76.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.4 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -58.07 -40.75 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.6 tt -68.93 -41.59 77.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.299 -0.876 . . . . 0.0 109.355 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 m -50.46 -52.5 37.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.066 -1.021 . . . . 0.0 109.913 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.89 79.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.93 -54.18 38.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.174 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -65.12 -37.12 86.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.736 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.21 -50.66 61.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.193 -0.942 . . . . 0.0 109.64 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.98 -45.57 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.633 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' B' ' 23' ' ' TRP . . . -57.71 -22.4 46.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.0 109.562 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -80.37 -47.08 14.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.0 109.35 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -62.26 -33.59 74.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.9 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.71 -60.7 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.939 -1.101 . . . . 0.0 109.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.98 -34.39 83.1 Favored Glycine 0 N--CA 1.502 3.085 0 C-N-CA 119.609 -1.281 . . . . 0.0 109.905 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -74.49 -52.25 12.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.575 -1.544 . . . . 0.0 109.395 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.265 -0.897 . . . . 0.0 109.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.644 ' C ' HD21 ' A' ' 29' ' ' ASN . 0.2 OUTLIER -54.53 -39.77 67.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.297 -0.877 . . . . 0.0 109.446 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -54.46 -51.2 65.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.4 tt -91.34 58.74 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.232 -0.917 . . . . 0.0 109.167 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -165.19 -65.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.88 -1.137 . . . . 0.0 109.223 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.524 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.37 -139.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -166.38 -62.88 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.04 -1.662 . . . . 0.0 109.928 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.07 -64.26 0.08 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.885 1.724 . . . . 0.0 111.919 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CD1' ' O ' ' B' ' 5' ' ' PHE . 37.2 t80 -76.25 -15.31 60.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.479 -0.763 . . . . 0.0 109.786 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -69.81 0.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.077 0.941 . . . . 0.0 110.031 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.77 -22.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.14 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.847 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 8' ' ' LEU . 1.9 tt -71.07 -49.27 46.46 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.79 -1.194 . . . . 0.0 108.69 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -60.15 -38.86 84.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 109.374 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 11' ' ' SER . 19.5 mm -60.52 -58.59 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.428 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.421 ' C ' ' O ' ' B' ' 10' ' ' ILE . 71.1 m -43.17 -48.03 6.35 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 119.976 -1.702 . . . . 0.0 110.997 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -57.68 -35.53 70.73 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.616 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.87 -43.96 97.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.177 -0.952 . . . . 0.0 109.315 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -57.68 -46.84 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.342 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.89 -38.63 91.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 109.757 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 57.0 p -52.63 -47.16 67.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.115 -0.991 . . . . 0.0 109.599 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.11 -38.02 44.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.142 -0.974 . . . . 0.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.527 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -57.8 -38.17 75.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 109.063 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -73.68 -48.79 29.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.117 -0.989 . . . . 0.0 109.851 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.28 -46.68 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.919 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.536 HD13 ' O ' ' B' ' 21' ' ' ILE . 0.2 OUTLIER -67.76 -45.35 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.294 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.456 ' N ' ' CG2' ' B' ' 21' ' ' ILE . . . -63.16 -37.31 86.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.075 . . . . 0.0 109.488 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 22' ' ' ALA . 62.8 t-105 -60.88 -44.93 96.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.201 -0.937 . . . . 0.0 109.412 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 33.8 m -62.49 -33.84 75.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 109.874 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -82.56 -58.3 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.986 -1.071 . . . . 0.0 110.382 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.37 82.52 Favored Glycine 0 N--CA 1.504 3.218 0 C-N-CA 119.852 -1.166 . . . . 0.0 110.808 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -54.97 -38.7 68.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.328 -1.69 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.81 -36.24 64.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.387 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -53.68 -37.48 63.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.244 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.76 -49.29 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 109.16 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 pt -90.86 55.62 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -157.47 -64.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.358 -0.839 . . . . 0.0 109.458 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.424 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mtt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.424 ' H ' ' HB3' ' C' ' 6' ' ' GLN . 12.0 tp -94.14 -136.44 0.2 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.239 -0.913 . . . . 0.0 108.851 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.566 ' C ' ' H ' ' C' ' 5' ' ' PHE . 1.8 mm-40 -78.94 -172.58 0.34 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 120.169 -1.582 . . . . 0.0 107.333 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 71.8 Cg_exo -52.07 4.0 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.744 1.63 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.566 ' H ' ' C ' ' C' ' 3' ' ' GLU . 62.4 t80 -96.41 -64.1 1.08 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.139 -0.976 . . . . 0.0 110.747 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.424 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 2.1 tp-100 -70.7 -32.18 69.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.498 -1.376 . . . . 0.0 110.431 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.432 HG22 ' O ' ' C' ' 3' ' ' GLU . 18.2 tt -68.76 -18.07 22.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.922 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -83.53 -47.04 11.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 108.917 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.89 -42.79 76.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.66 -56.85 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.137 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -44.7 -52.88 7.87 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 111.0 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -61.73 -40.31 94.64 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.681 -0.807 . . . . 0.0 109.36 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -57.94 -48.69 79.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.17 -36.06 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 0.0 109.234 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.538 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.1 tt -71.77 -45.28 62.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -0.884 . . . . 0.0 109.189 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 62.4 m -46.95 -48.13 21.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.048 -1.032 . . . . 0.0 110.02 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -48.05 68.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.063 -1.023 . . . . 0.0 109.794 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.24 -49.71 63.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -64.03 -39.27 93.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.236 -0.915 . . . . 0.0 110.021 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.93 -51.86 67.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 109.787 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.57 -60.45 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.425 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -45.63 -28.03 0.9 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 110.15 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -73.62 -44.16 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -65.33 -35.89 82.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 110.519 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.603 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.9 mp -81.57 -52.96 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.713 -1.242 . . . . 0.0 109.46 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.35 90.83 Favored Glycine 0 N--CA 1.503 3.166 0 C-N-CA 119.595 -1.288 . . . . 0.0 109.978 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -71.24 -43.56 67.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.568 -1.548 . . . . 0.0 109.195 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.92 -36.05 76.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.36 -0.837 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.63 -32.15 68.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.452 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -63.23 -50.13 71.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.0 109.637 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.41 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.8 tt -85.22 49.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.147 -0.971 . . . . 0.0 108.941 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -104.1 -45.11 4.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.365 -0.834 . . . . 0.0 109.103 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.537 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -74.34 -138.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.108 -0.995 . . . . 0.0 108.577 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.455 ' CB ' ' CD ' ' D' ' 4' ' ' PRO . 8.5 mt-10 -148.94 -67.22 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.201 -1.562 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 49.8 Cg_endo -66.36 -24.13 50.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.031 1.821 . . . . 0.0 111.79 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -100.71 -38.09 8.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -60.23 -25.38 65.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.842 . . . . 0.0 109.589 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 5.9 tp -74.03 -19.4 17.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.584 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.7 tt -79.89 -48.48 13.39 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.1 p -58.74 -49.43 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.591 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.91 -52.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -48.78 -40.83 30.37 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 119.913 -1.742 . . . . 0.0 110.984 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 98.6 p -67.08 -32.62 73.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.47 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -63.24 -43.57 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.92 -39.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 0.0 109.452 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.583 HD23 ' O ' ' D' ' 15' ' ' LEU . 2.0 tt -73.21 -42.12 63.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.305 -0.872 . . . . 0.0 109.745 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 29.0 t -54.85 -46.74 74.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.03 63.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.047 -1.033 . . . . 0.0 109.646 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.84 -46.16 64.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.174 -0.954 . . . . 0.0 109.084 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -67.26 -37.45 83.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.9 . . . . 0.0 109.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.65 -52.54 65.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.806 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.88 -40.26 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 109.66 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.46 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.085 -1.009 . . . . 0.0 109.51 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' TRP . . . . . 0.425 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 47.1 t-105 -69.68 -43.67 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 27.0 m -63.19 -31.9 73.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.83 -60.38 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.0 110.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.66 93.03 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.214 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.81 -50.68 55.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.47 -1.606 . . . . 0.0 109.073 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.28 -47.0 79.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.359 -0.838 . . . . 0.0 109.313 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -59.86 -33.76 72.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.461 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.25 -40.33 81.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -90.79 51.79 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.256 -0.902 . . . . 0.0 109.494 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -162.81 -56.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.482 -0.761 . . . . 0.0 109.323 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.414 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 61.4 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.9 tt 86.06 -60.62 0.06 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 122.047 -0.408 . . . . 0.0 110.121 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.8 mt-10 -69.95 -49.82 18.54 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.563 -1.336 . . . . 0.0 109.127 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 36.3 Cg_endo -93.69 -27.28 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.807 2.338 . . . . 0.0 112.187 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.507 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 17.1 t80 -83.44 -49.82 8.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.261 -0.9 . . . . 0.0 110.527 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' LEU . 22.6 tp60 -45.92 -63.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.895 -1.128 . . . . 0.0 110.072 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -45.31 -20.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.004 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 tt -75.76 -49.15 19.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.024 -1.048 . . . . 0.0 108.302 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -57.57 -36.21 71.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.0 109.224 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' SER . 20.2 mm -61.37 -56.84 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.269 -0.894 . . . . 0.0 109.23 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -43.03 -49.69 6.07 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.03 -1.669 . . . . 0.0 110.974 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -56.57 -36.7 69.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.402 -0.811 . . . . 0.0 109.463 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.41 -37.08 85.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.888 . . . . 0.0 109.658 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.57 -42.91 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -69.93 -35.54 74.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.91 . . . . 0.0 110.066 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -61.18 -48.38 81.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 109.991 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.27 40.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.008 . . . . 0.0 109.528 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.04 -43.69 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 108.961 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -64.44 -37.93 89.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.346 -0.846 . . . . 0.0 109.407 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.72 -52.93 63.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -0.853 . . . . 0.0 109.832 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.95 -44.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.768 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.14 82.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.934 . . . . 0.0 109.566 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -63.36 -43.53 97.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.194 -0.941 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.0 m -64.35 -33.02 74.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 0.0 109.963 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.95 -59.33 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.928 -1.108 . . . . 0.0 109.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.59 -35.51 91.92 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.75 -1.215 . . . . 0.0 110.279 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -71.32 -50.05 36.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.473 -1.604 . . . . 0.0 109.424 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.74 -35.97 73.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.0 109.453 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.16 -36.36 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.155 -0.966 . . . . 0.0 109.519 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -58.39 -46.48 86.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.22 -0.925 . . . . 0.0 109.505 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.5 tt -92.67 56.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.211 -0.93 . . . . 0.0 108.965 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -159.76 -70.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.995 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.485 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.4 tt 84.33 -62.92 0.08 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.921 -0.487 . . . . 0.0 110.397 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 0.4 OUTLIER -66.6 -51.4 41.05 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 120.45 -1.406 . . . . 0.0 109.275 -179.419 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 35.9 Cg_endo -91.56 -26.01 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.475 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 26.4 t80 -87.14 -47.83 8.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.882 . . . . 0.0 111.138 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -46.14 -52.84 11.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.824 -1.172 . . . . 0.0 110.521 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -55.83 -20.25 8.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 CA-C-O 121.201 0.524 . . . . 0.0 109.904 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.76 -50.04 13.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.989 . . . . 0.0 109.009 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -55.29 -37.2 67.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.745 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.75 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.065 -1.022 . . . . 0.0 109.649 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -46.46 -37.84 8.32 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 119.961 -1.712 . . . . 0.0 110.977 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 27.8 p -69.42 -29.78 67.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.621 -1.3 . . . . 0.0 109.933 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -72.26 -56.57 5.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.06 -34.39 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.075 -1.016 . . . . 0.0 109.868 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -75.51 -38.44 59.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.16 -0.962 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -56.59 -49.64 74.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 110.064 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.51 37.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -50.62 -43.0 56.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -64.53 -36.09 83.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.92 -51.07 68.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.08 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 pt -76.28 -29.25 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 110.051 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 -25.4 62.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.003 . . . . 0.0 109.647 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -84.44 -48.08 10.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.926 . . . . 0.0 109.605 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 44.1 m -67.65 -34.47 77.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.171 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.87 -50.15 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.977 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.26 76.4 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.11 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -56.35 -39.87 73.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.553 -1.557 . . . . 0.0 109.375 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 14.7 mt -54.73 -37.81 66.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.407 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -50.23 -47.93 54.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.935 . . . . 0.0 109.248 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -56.08 -33.84 65.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.183 -0.948 . . . . 0.0 108.5 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.45 49.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.469 -0.77 . . . . 0.0 109.033 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -165.61 -67.67 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.483 -0.761 . . . . 0.0 109.46 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.495 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mtm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.332 0.587 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.466 ' H ' ' HB3' ' C' ' 6' ' ' GLN . 62.8 tp -50.67 -82.22 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.486 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.2 mm-40 176.45 -50.5 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 120.222 -1.549 . . . . 0.0 110.735 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 66.7 Cg_endo -88.32 -59.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.574 2.183 . . . . 0.0 114.077 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -106.6 -40.98 5.39 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.266 -0.896 . . . . 0.0 111.45 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.466 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 7.1 tt0 -57.83 -68.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.493 -1.379 . . . . 0.0 110.677 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 tt -46.59 -22.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 121.804 -0.56 . . . . 0.0 110.149 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.71 -39.57 66.87 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.963 -1.086 . . . . 0.0 108.337 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -63.16 -40.93 98.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.463 -0.773 . . . . 0.0 109.171 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.573 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.7 mp -62.75 -67.55 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 109.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -43.42 -47.02 6.9 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.152 -1.592 . . . . 0.0 110.968 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -64.12 -39.79 94.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.723 -1.235 . . . . 0.0 108.983 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -65.42 -51.58 59.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.408 -0.808 . . . . 0.0 109.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.44 -33.44 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.315 -0.866 . . . . 0.0 109.475 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 tp -76.13 -35.81 59.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 109.885 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -60.05 -51.05 71.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 109.934 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.26 52.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 0.0 109.505 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.03 -40.74 70.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' HIS . . . . . 0.458 ' CE1' HD21 ' B' ' 15' ' ' LEU . 19.9 t-80 -64.5 -45.19 88.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.042 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -54.3 -53.57 51.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.139 -0.976 . . . . 0.0 109.925 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.59 -52.03 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.871 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.95 -47.43 52.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.945 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -64.02 -43.75 94.66 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.577 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -59.92 -32.36 70.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.782 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.67 -64.0 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.961 -1.087 . . . . 0.0 110.219 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -38.39 68.89 Favored Glycine 0 N--CA 1.504 3.201 0 C-N-CA 119.677 -1.249 . . . . 0.0 110.074 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.9 -51.48 47.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.491 -1.593 . . . . 0.0 109.18 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.16 -35.86 80.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.207 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.5 -38.23 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 109.216 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -55.71 -48.76 74.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.591 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.9 tp -93.02 58.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.278 -0.889 . . . . 0.0 109.017 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -159.82 -70.98 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.885 -1.134 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.526 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.574 ' H2 ' ' HB2' ' D' ' 6' ' ' GLN . 65.7 mtt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.79 HD22 ' N ' ' D' ' 2' ' ' LEU . 2.3 mm? -84.41 -80.48 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.025 -1.047 . . . . 0.0 108.823 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.5 mt-10 171.54 -51.59 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 120.992 -1.067 . . . . 0.0 108.762 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 39.4 Cg_endo -90.83 -37.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.774 2.316 . . . . 0.0 112.828 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -89.14 -54.81 3.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.226 -0.921 . . . . 0.0 110.61 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' GLN . . . . . 0.574 ' HB2' ' H2 ' ' D' ' 1' ' ' MET . 34.5 tp60 -52.05 -42.68 63.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.998 -1.064 . . . . 0.0 110.204 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.2 -18.21 19.53 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.203 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.413 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.2 tt -79.37 -52.17 8.44 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.6 p -59.76 -43.49 94.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.163 -0.96 . . . . 0.0 109.551 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.1 -34.41 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.204 -0.935 . . . . 0.0 109.609 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -71.28 -33.57 69.87 Favored 'General case' 0 C--O 1.209 -1.046 0 O-C-N 120.01 -1.682 . . . . 0.0 110.941 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -71.86 -36.42 70.11 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.714 -0.795 . . . . 0.0 109.664 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.75 -53.68 43.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.838 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tp -63.65 -32.97 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.168 -0.958 . . . . 0.0 109.687 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.06 -35.01 61.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 109.956 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.9 p -62.81 -53.97 46.12 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.132 -0.98 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.98 93.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.548 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.53 -41.33 97.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.356 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.863 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -56.96 -52.32 65.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.54 -38.26 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.728 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.45 65.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 0.0 109.585 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -79.68 -45.44 18.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.588 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.4 m -66.53 -36.45 82.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.099 -1.001 . . . . 0.0 109.827 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 94.1 mt -76.36 -54.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.74 -1.225 . . . . 0.0 110.052 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' D' ' 29' ' ' ASN . . . -63.54 -28.11 71.95 Favored Glycine 0 N--CA 1.504 3.209 0 C-N-CA 119.92 -1.133 . . . . 0.0 110.279 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -87.05 -55.83 3.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.557 -1.555 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.96 -55.36 20.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.778 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' D' ' 30' ' ' GLN . 38.1 p-10 -54.43 -34.82 62.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.02 . . . . 0.0 109.623 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' D' ' 29' ' ' ASN . 38.0 tt0 -58.13 -42.1 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.987 . . . . 0.0 109.316 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.84 51.85 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 109.479 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -111.57 -34.74 5.99 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.486 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 54.8 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.0 tt 82.3 -57.22 0.21 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.79 -0.569 . . . . 0.0 110.235 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.7 tt0 -74.34 -48.79 5.5 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.48 -1.388 . . . . 0.0 109.533 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 40.6 Cg_endo -98.04 -13.93 0.33 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 123.001 2.468 . . . . 0.0 112.738 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 35.3 t80 -102.42 -62.33 1.28 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -53.98 -28.13 35.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.74 -1.225 . . . . 0.0 109.974 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -72.57 -20.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.151 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.8 tt -79.3 -48.57 13.88 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 p -59.26 -34.11 71.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.706 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.47 -65.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.946 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -44.92 -40.7 6.55 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.012 -1.68 . . . . 0.0 110.965 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -64.17 -43.9 93.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.84 -1.163 . . . . 0.0 109.243 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -54.7 -40.15 68.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.321 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.2 -45.2 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.317 -0.865 . . . . 0.0 109.331 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.68 -35.8 81.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 109.646 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.8 m -56.31 -47.87 77.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.942 . . . . 0.0 109.986 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.49 72.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -50.7 -48.0 58.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.65 -37.73 87.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.777 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.47 -51.18 70.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.891 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.75 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.805 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.41 91.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -68.71 -43.46 75.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -65.06 -34.66 78.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.252 -0.905 . . . . 0.0 109.858 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.53 -57.22 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.9 -1.125 . . . . 0.0 110.139 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.54 83.47 Favored Glycine 0 N--CA 1.503 3.13 0 C-N-CA 119.721 -1.228 . . . . 0.0 110.152 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.61 -49.32 16.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.546 -1.561 . . . . 0.0 109.56 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.55 -38.99 93.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -60.52 -37.95 82.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -57.64 -45.98 84.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.196 -0.94 . . . . 0.0 109.523 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.0 tt -92.53 56.07 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.193 -0.942 . . . . 0.0 109.353 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -170.69 -65.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.914 -1.116 . . . . 0.0 109.538 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.426 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 31.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.2 tt 81.38 -60.35 0.22 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.797 -0.564 . . . . 0.0 110.532 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.5 tm-20 -70.78 -49.63 14.05 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 120.674 -1.266 . . . . 0.0 109.821 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 41.3 Cg_endo -98.15 -15.04 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.849 2.366 . . . . 0.0 112.74 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.428 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 57.2 t80 -101.13 -62.06 1.29 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.201 -0.937 . . . . 0.0 111.249 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.09 -26.87 29.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.672 -1.267 . . . . 0.0 110.14 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.69 -17.42 16.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 109.232 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.3 tt -82.07 -50.62 8.88 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -57.69 -46.51 84.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.626 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.5 mt -62.31 -52.5 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 109.543 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.406 ' C ' ' O ' ' B' ' 10' ' ' ILE . 70.6 m -43.15 -51.57 5.91 Favored 'General case' 0 C--O 1.205 -1.24 0 O-C-N 119.998 -1.689 . . . . 0.0 110.958 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -53.9 -45.94 71.27 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.361 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -51.18 -44.25 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 0.0 109.273 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -58.58 -42.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -66.91 -42.02 86.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.835 . . . . 0.0 109.287 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.7 m -49.39 -51.18 36.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.167 -0.958 . . . . 0.0 109.818 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.04 11.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.476 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.78 -47.69 30.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 109.125 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -52.62 -42.69 64.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.57 -47.33 73.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.941 . . . . 0.0 109.687 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.78 -34.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.58 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.11 -37.62 38.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -73.11 -43.79 61.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 109.625 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.503 ' CG2' ' N ' ' B' ' 25' ' ' ILE . 2.5 t -63.27 -47.87 80.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.21 -0.931 . . . . 0.0 109.354 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG2' ' B' ' 24' ' ' THR . 96.7 mt -65.81 -58.34 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -31.93 59.67 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -85.74 -64.16 1.2 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.643 -1.504 . . . . 0.0 108.855 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.521 HD23 ' C ' ' B' ' 28' ' ' LEU . 6.7 tt -48.0 -52.39 20.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 0.0 109.094 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -53.09 -42.14 65.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 109.281 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -55.54 -34.23 64.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.143 -0.973 . . . . 0.0 108.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mt -89.0 47.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.421 -0.8 . . . . 0.0 108.979 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -101.08 -44.86 5.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.621 -0.674 . . . . 0.0 109.339 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.498 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttp . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' C' ' 2' ' ' LEU . 3.4 mm? -60.17 -83.5 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.088 -1.008 . . . . 0.0 109.03 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.569 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 2.6 tp10 -176.68 -42.56 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 120.867 -1.146 . . . . 0.0 110.083 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.569 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 91.4 Cg_endo -97.25 -73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.856 2.371 . . . . 0.0 114.065 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -80.61 -52.75 7.22 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.283 -0.886 . . . . 0.0 111.87 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -45.97 -47.46 16.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.944 -1.098 . . . . 0.0 111.057 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.4 -20.18 24.09 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.776 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.56 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.1 tt -75.19 -50.21 16.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 108.907 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -62.36 -43.99 97.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -37.13 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.089 -1.007 . . . . 0.0 109.821 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -64.7 -39.59 93.91 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 119.971 -1.705 . . . . 0.0 110.945 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -67.92 -36.52 80.32 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.533 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.71 -49.03 76.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -60.34 -45.08 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.589 ' O ' HD23 ' C' ' 15' ' ' LEU . 3.8 tt -65.55 -48.71 71.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.166 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -43.97 -52.54 6.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.513 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.34 89.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.931 -1.106 . . . . 0.0 109.772 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 31.5 tp -52.54 -39.39 61.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 109.662 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -67.65 -58.61 4.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.215 -0.928 . . . . 0.0 110.016 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -51.53 -48.08 63.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.185 -0.947 . . . . 0.0 109.683 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.69 -63.9 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.151 -0.968 . . . . 0.0 109.657 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.31 -26.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 0.0 110.094 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -71.35 -43.2 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.18 -0.95 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -65.28 -35.97 82.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.652 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.6 mp -77.65 -56.2 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.776 -1.202 . . . . 0.0 109.43 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.18 -34.17 87.03 Favored Glycine 0 N--CA 1.504 3.167 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.226 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -73.74 -51.43 16.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.506 -1.585 . . . . 0.0 109.499 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.36 -37.54 86.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -55.41 -38.2 68.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 109.703 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -49.74 76.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.135 -0.978 . . . . 0.0 109.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.637 HG23 ' O ' ' C' ' 31' ' ' ILE . 11.0 tp -90.38 55.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 109.349 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.26 -21.99 0.34 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.01 -1.056 . . . . 0.0 109.253 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.487 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.443 ' H3 ' ' HG2' ' D' ' 1' ' ' MET . 22.5 ptm . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.813 HD22 ' N ' ' D' ' 2' ' ' LEU . 1.9 mm? -88.51 -95.16 0.1 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.207 -0.933 . . . . 0.0 109.048 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.2 tp10 179.1 -45.98 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 120.478 -1.389 . . . . 0.0 108.442 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 45.8 Cg_endo -95.64 -24.15 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.932 2.421 . . . . 0.0 112.36 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -99.25 -54.14 3.04 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.23 -0.919 . . . . 0.0 110.347 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.97 -29.92 63.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.077 . . . . 0.0 109.869 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -72.26 -17.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.477 HD23 ' O ' ' D' ' 8' ' ' LEU . 2.5 tt -81.47 -53.12 6.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 108.727 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.8 p -58.31 -42.71 87.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.43 -60.2 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.266 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.07 -44.22 7.35 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 119.889 -1.757 . . . . 0.0 110.991 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -64.39 -28.33 69.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -68.53 -54.92 13.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.007 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 pt -60.38 -34.35 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.558 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.521 HD23 ' O ' ' D' ' 15' ' ' LEU . 2.2 tt -74.16 -48.5 28.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.254 -0.904 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -45.8 -49.04 15.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.137 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.22 84.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.999 -1.063 . . . . 0.0 109.591 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.49 -50.48 71.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.968 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -66.89 -36.24 81.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.37 -49.69 71.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.2 mt -77.91 -45.72 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.916 . . . . 0.0 109.955 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.92 -43.31 71.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.341 -0.849 . . . . 0.0 109.439 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -63.56 -33.87 76.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.223 -0.923 . . . . 0.0 110.112 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -79.58 -58.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.882 -1.136 . . . . 0.0 109.926 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.5 90.75 Favored Glycine 0 N--CA 1.503 3.123 0 C-N-CA 119.752 -1.213 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -70.46 -47.57 60.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.525 -1.573 . . . . 0.0 109.332 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.64 -32.54 67.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.355 -0.841 . . . . 0.0 109.262 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -58.85 -39.79 82.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.225 -0.922 . . . . 0.0 109.379 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -58.75 -45.3 90.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -91.2 55.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.257 -0.902 . . . . 0.0 109.189 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -151.95 -74.89 0.14 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.415 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 65.2 mtp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.5 tt 84.49 -61.29 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.92 -0.488 . . . . 0.0 110.051 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.9 tt0 -66.39 -49.34 53.67 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.453 -1.404 . . . . 0.0 109.226 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.9 Cg_endo -95.98 -23.78 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.81 2.34 . . . . 0.0 112.517 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 17.8 t80 -88.54 -44.05 10.95 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.236 -0.915 . . . . 0.0 110.671 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -46.74 -51.41 16.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.779 -1.2 . . . . 0.0 110.364 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 tt -54.42 -20.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.1 tt -78.82 -46.53 18.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.292 -0.88 . . . . 0.0 108.842 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -62.18 -32.88 73.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 109.925 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.35 -64.1 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.045 -1.035 . . . . 0.0 109.79 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.68 -42.1 11.2 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.085 -1.635 . . . . 0.0 110.952 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -63.0 -38.74 92.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.924 -1.11 . . . . 0.0 109.347 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.51 -49.25 64.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.713 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.3 tt -71.17 -45.18 64.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.248 -0.908 . . . . 0.0 109.392 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.4 p -47.29 -45.76 24.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.085 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.06 69.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.067 -1.021 . . . . 0.0 109.762 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.0 -43.89 78.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 109.483 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.31 -36.89 80.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.935 . . . . 0.0 110.004 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -63.9 -51.46 64.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.847 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.7 tt -72.52 -34.61 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 109.879 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.21 71.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -67.39 -43.53 81.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 m -63.21 -35.11 79.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.908 . . . . 0.0 109.816 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -81.04 -58.78 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.82 -1.175 . . . . 0.0 109.824 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.69 -35.43 62.51 Favored Glycine 0 N--CA 1.503 3.127 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -78.18 -54.64 6.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.536 -1.567 . . . . 0.0 109.256 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.581 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.1 tt -61.22 -52.68 63.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.218 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -49.83 -34.56 20.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -62.61 -60.69 3.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.505 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' ILE . 14.2 tt -77.6 48.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-O 122.166 0.984 . . . . 0.0 108.954 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.04 -54.94 2.6 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.367 -0.833 . . . . 0.0 109.327 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.519 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.506 ' CG ' ' H ' ' B' ' 3' ' ' GLU . 2.2 tp 67.89 -136.17 0.11 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.506 ' H ' ' CG ' ' B' ' 2' ' ' LEU . 0.1 OUTLIER 57.33 157.3 0.08 OUTLIER Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.758 -1.214 . . . . 0.0 110.838 178.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -33.15 -36.44 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.077 0 C-N-CA 123.218 2.612 . . . . 0.0 112.176 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -59.08 -46.8 87.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.766 . . . . 0.0 109.249 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 3' ' ' GLU . 56.9 tp60 -68.57 -71.36 0.22 Allowed 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.925 -1.109 . . . . 0.0 110.628 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tt -43.9 -25.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.618 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.6 -47.22 56.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.869 -1.144 . . . . 0.0 108.705 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -64.94 -35.55 81.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.1 -56.88 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.918 . . . . 0.0 109.989 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -55.4 -41.94 73.38 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 120.237 -1.539 . . . . 0.0 110.945 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 26.2 m -64.7 -35.82 82.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -69.37 -48.82 60.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.0 109.519 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 93.8 mt -56.21 -35.53 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 109.617 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.4 tt -74.34 -43.9 54.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.07 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -46.96 -48.63 21.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.202 -0.937 . . . . 0.0 109.725 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -46.23 63.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.147 -0.971 . . . . 0.0 109.29 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -49.8 -47.81 51.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.336 -0.852 . . . . 0.0 108.949 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -64.19 -36.55 84.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.259 -0.9 . . . . 0.0 109.67 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -60.76 -40.78 93.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.032 -1.042 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mm -78.23 -52.75 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 109.934 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' C' ' 23' ' ' TRP . . . -59.69 -45.35 92.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 109.876 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -62.84 -44.41 96.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.885 . . . . 0.0 109.89 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 46.3 m -65.06 -34.88 79.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.78 -55.45 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.906 -1.121 . . . . 0.0 109.962 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -35.07 91.33 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.661 -1.257 . . . . 0.0 110.219 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.79 -46.92 50.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.49 -1.594 . . . . 0.0 109.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -63.94 -36.98 85.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 0.0 109.075 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -55.51 -40.3 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.351 -0.843 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -56.39 -52.82 63.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.527 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.433 HG23 ' O ' ' B' ' 31' ' ' ILE . 10.4 tt -87.44 55.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.225 -0.922 . . . . 0.0 109.163 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -163.49 -67.18 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.943 -1.098 . . . . 0.0 109.275 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.416 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.263 0.554 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.476 ' H ' HD22 ' C' ' 2' ' ' LEU . 0.8 OUTLIER -85.88 -120.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.859 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 3.7 pm0 -170.03 -23.33 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 120.485 -1.384 . . . . 0.0 111.758 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.859 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 35.3 Cg_endo -98.55 -51.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 0 C-N-CA 121.613 1.542 . . . . 0.0 111.668 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.426 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 43.3 t80 -90.7 -46.58 8.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.468 -0.77 . . . . 0.0 109.888 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -47.5 -39.26 15.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.168 -0.957 . . . . 0.0 110.619 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.83 -21.05 27.91 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 O-C-N 121.86 -0.525 . . . . 0.0 110.196 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.515 HD23 ' O ' ' C' ' 8' ' ' LEU . 2.3 tt -79.2 -45.94 18.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.893 . . . . 0.0 108.633 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 31.2 t -60.27 -33.84 72.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.86 -66.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.996 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 97.2 p -43.8 -37.51 2.78 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.933 -1.729 . . . . 0.0 110.982 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -65.84 -40.21 91.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.488 -1.383 . . . . 0.0 109.034 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.09 -38.64 76.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -62.11 -48.79 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.133 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.55 -27.15 68.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.768 . . . . 0.0 109.912 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.5 m -67.11 -49.48 64.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.29 76.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.103 -0.998 . . . . 0.0 109.395 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.81 -39.55 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -61.87 -48.92 78.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -52.78 -55.66 21.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 109.576 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.42 -47.5 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.655 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.2 61.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.942 . . . . 0.0 109.506 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' TRP . . . . . 0.408 ' CE2' ' HB1' ' B' ' 22' ' ' ALA . 65.8 t-105 -66.48 -44.62 82.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.18 -0.95 . . . . 0.0 109.384 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -66.93 -33.07 74.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.0 109.792 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.3 mt -76.05 -57.11 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.93 -1.106 . . . . 0.0 109.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.4 -35.57 92.11 Favored Glycine 0 N--CA 1.502 3.042 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.112 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -70.0 -44.79 68.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.476 -1.602 . . . . 0.0 109.079 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.22 -36.28 83.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.023 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.912 . . . . 0.0 109.403 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -57.91 -48.92 78.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.499 HG23 ' O ' ' C' ' 31' ' ' ILE . 13.7 tt -92.43 58.84 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.303 -0.873 . . . . 0.0 109.13 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -158.62 -65.65 0.08 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.533 -179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.446 ' H2 ' ' HB2' ' D' ' 6' ' ' GLN . 60.3 mtt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.825 HD22 ' N ' ' D' ' 2' ' ' LEU . 1.7 mm? -89.29 -86.09 0.19 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.117 -0.989 . . . . 0.0 109.177 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.6 mt-10 171.37 -51.15 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 120.712 -1.243 . . . . 0.0 108.292 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 43.7 Cg_endo -89.56 -31.81 0.13 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -91.62 -55.37 3.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' GLN . . . . . 0.446 ' HB2' ' H2 ' ' D' ' 1' ' ' MET . 4.4 tt0 -52.64 -34.09 49.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 110.312 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.9 tt -72.79 -16.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.219 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.38 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.1 tt -80.05 -53.02 7.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -59.95 -44.44 94.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.0 109.542 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.32 -36.97 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.1 m -62.19 -38.84 90.64 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 119.939 -1.726 . . . . 0.0 110.934 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t -66.49 -33.99 76.92 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.799 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.96 -60.03 3.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 0.0 110.121 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ILE . . . . . 0.54 HD13 ' O ' ' D' ' 14' ' ' ILE . 0.2 OUTLIER -54.85 -43.59 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.29 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.2 tt -65.5 -42.72 91.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.078 -1.014 . . . . 0.0 109.425 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -48.41 -53.81 16.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.17 80.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.105 -0.997 . . . . 0.0 109.737 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -51.24 -45.46 61.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.186 -0.946 . . . . 0.0 109.319 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -68.69 -37.89 79.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.38 -55.89 15.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.931 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.463 HG23 ' N ' ' D' ' 22' ' ' ALA . 20.5 tt -64.65 -39.38 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.162 -0.961 . . . . 0.0 109.763 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.463 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -62.92 -43.98 97.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 0.0 109.516 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -60.16 -43.69 95.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.935 . . . . 0.0 109.463 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 45.4 m -66.04 -34.38 77.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 109.87 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.11 -57.07 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.812 -1.18 . . . . 0.0 109.808 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.35 88.1 Favored Glycine 0 N--CA 1.503 3.12 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.106 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -75.49 -52.62 10.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.5 -1.588 . . . . 0.0 109.332 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.05 -41.36 96.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -0.839 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.79 -41.86 87.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.154 -0.966 . . . . 0.0 109.493 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -54.48 -45.76 73.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.0 109.313 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 pt -90.87 55.26 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.256 -0.903 . . . . 0.0 109.519 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -155.92 -40.03 0.08 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.379 -0.826 . . . . 0.0 109.392 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.334 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' H ' ' HB3' ' A' ' 6' ' ' GLN . 52.3 tp -80.41 -52.92 7.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.214 -0.929 . . . . 0.0 109.063 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' A' ' 5' ' ' PHE . 10.8 pt-20 -170.09 -175.1 0.33 Allowed Pre-proline 0 C--N 1.297 -1.7 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -53.95 6.61 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.605 0 CA-C-N 120.709 1.289 . . . . 0.0 112.203 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.581 ' H ' ' C ' ' A' ' 3' ' ' GLU . 18.6 t80 -103.09 -71.91 0.71 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 20.9 tp60 -55.48 -40.65 71.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.788 -1.195 . . . . 0.0 109.769 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 3' ' ' GLU . 11.3 tt -63.44 -20.75 26.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.225 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.279 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.54 -37.32 43.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 108.917 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -64.53 -48.62 74.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.0 110.021 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 pt -77.27 -24.81 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 110.267 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -78.38 -48.03 16.4 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 119.772 -1.83 . . . . 0.0 110.992 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t -67.74 -25.24 65.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.238 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -72.05 -60.93 1.98 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 tt -55.1 -35.74 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 109.159 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.2 tt -73.16 -40.21 65.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 108.862 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.8 t -48.65 -47.34 40.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.12 33.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.226 -0.921 . . . . 0.0 109.384 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -49.11 -45.3 43.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 0.0 109.292 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.8 -33.05 74.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.681 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -67.13 -51.01 59.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.41 -29.39 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.66 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.51 72.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.967 . . . . 0.0 109.4 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -77.36 -46.23 23.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -68.47 -34.65 76.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.181 -0.949 . . . . 0.0 109.866 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.39 -53.95 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.685 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.93 88.58 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -76.73 -51.95 10.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.698 -1.472 . . . . 0.0 109.031 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.9 tt -63.65 -49.44 73.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.025 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -54.1 -34.43 60.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.0 109.534 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.94 -50.88 72.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.556 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -89.48 55.47 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 122.028 0.918 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -162.31 -76.37 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.946 -1.096 . . . . 0.0 109.434 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.499 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 39.8 ttm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.487 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 2.6 tt 81.72 -57.26 0.25 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.765 -0.585 . . . . 0.0 109.989 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.8 mt-10 -69.11 -49.42 24.75 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 120.463 -1.398 . . . . 0.0 109.412 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 36.9 Cg_endo -96.2 -21.68 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.849 2.366 . . . . 0.0 112.588 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.487 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 45.6 t80 -91.71 -43.31 9.65 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 111.1 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -45.4 -64.19 0.78 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.925 -1.109 . . . . 0.0 110.387 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.49 -21.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.508 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.8 tt -72.29 -53.83 11.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.877 -1.139 . . . . 0.0 108.564 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -53.12 -38.27 62.5 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.275 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.1 -57.54 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.166 -0.959 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.29 -43.29 7.29 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 120.241 -1.537 . . . . 0.0 110.963 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 10.8 t -67.18 -42.9 83.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.663 -1.273 . . . . 0.0 109.577 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.58 -48.58 78.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.34 -40.92 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.177 -0.952 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.58 -34.78 76.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -57.37 -52.18 66.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.084 -1.01 . . . . 0.0 109.555 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.61 -55.06 11.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 109.31 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.51 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.1 -40.74 24.31 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 108.95 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -60.61 -45.32 94.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.59 -52.7 50.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.764 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.52 -38.72 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.237 -0.914 . . . . 0.0 109.582 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.65 68.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 109.721 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -62.05 -44.15 97.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.129 -0.982 . . . . 0.0 109.541 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.3 m -59.86 -34.27 72.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.967 . . . . 0.0 109.859 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -85.45 -60.52 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.912 -1.118 . . . . 0.0 110.308 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -34.58 58.39 Favored Glycine 0 N--CA 1.505 3.275 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.67 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -56.08 -41.18 74.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.396 -1.65 . . . . 0.0 109.515 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -50.92 -40.56 57.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.176 -0.952 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -51.76 -45.78 63.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 0.0 109.173 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -57.63 -34.46 69.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.287 -0.883 . . . . 0.0 108.732 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -90.74 49.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.435 -0.791 . . . . 0.0 109.064 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -158.9 -72.85 0.08 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.464 -0.772 . . . . 0.0 109.454 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.498 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 ttm . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.447 0.641 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.645 HD23 ' H ' ' C' ' 2' ' ' LEU . 0.2 OUTLIER -150.45 -136.33 0.07 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 108.633 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.48 ' H ' ' HD2' ' C' ' 4' ' ' PRO . 14.0 mt-10 -137.85 -65.61 0.02 OUTLIER Pre-proline 0 N--CA 1.5 2.057 0 O-C-N 120.145 -1.597 . . . . 0.0 109.719 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.48 ' HD2' ' H ' ' C' ' 3' ' ' GLU . 80.8 Cg_exo -31.43 -56.3 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.265 0 C-N-CA 122.427 2.084 . . . . 0.0 113.225 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' C' ' 5' ' ' PHE . 84.3 t80 -92.86 -1.29 56.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.136 -0.978 . . . . 0.0 110.462 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' C' ' 3' ' ' GLU . 30.0 tp60 -73.4 -40.9 63.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.685 -1.259 . . . . 0.0 110.788 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -71.27 -23.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 O-C-N 121.674 -0.641 . . . . 0.0 110.146 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.0 OUTLIER -76.36 -43.2 41.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.896 -1.127 . . . . 0.0 108.456 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -64.96 -43.84 91.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.488 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.3 -61.88 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 0.0 109.722 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.43 -42.54 7.08 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 120.001 -1.687 . . . . 0.0 110.967 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -62.19 -46.35 89.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.682 -1.261 . . . . 0.0 109.509 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.86 -43.76 97.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.667 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.51 -40.69 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 110.168 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.3 tt -70.25 -31.95 69.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 0.0 109.616 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -62.58 -54.21 43.08 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.856 -1.153 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.89 72.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.951 -1.093 . . . . 0.0 109.526 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.81 -33.49 75.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -72.63 -40.74 66.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.913 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.86 -57.38 10.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.715 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.466 HG23 ' N ' ' C' ' 22' ' ' ALA . 18.1 tt -56.66 -38.48 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.155 -0.965 . . . . 0.0 109.662 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.466 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -71.19 -35.95 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.477 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -68.54 -43.02 77.61 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.3 m -67.57 -33.72 75.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 110.023 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -77.92 -55.03 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.807 -1.183 . . . . 0.0 109.843 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.55 -34.36 89.7 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.05 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -72.5 -46.44 54.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.575 -1.544 . . . . 0.0 109.314 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.08 -34.35 70.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 0.0 109.215 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.9 -37.58 88.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 109.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -53.14 -38.21 62.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.35 51.41 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 CA-C-O 122.315 1.055 . . . . 0.0 108.825 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -156.97 -73.8 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.022 -1.049 . . . . 0.0 109.185 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.504 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.508 ' O ' ' N ' ' D' ' 3' ' ' GLU . 48.8 ttp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' D' ' 3' ' ' GLU . 6.7 tt 62.81 -65.58 0.09 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.726 -0.609 . . . . 0.0 110.312 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.799 ' O ' ' N ' ' D' ' 5' ' ' PHE . 12.6 mt-10 -46.8 160.83 0.31 Allowed Pre-proline 0 N--CA 1.497 1.894 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' D' ' 3' ' ' GLU . 27.0 Cg_exo -11.91 57.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.485 0.994 0 C-N-CA 125.02 3.813 . . . . 0.0 114.176 -177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.799 ' N ' ' O ' ' D' ' 3' ' ' GLU . 15.3 t80 -151.65 -66.43 0.18 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.74 -34.1 69.24 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.966 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -66.68 -23.83 31.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.58 -44.12 29.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.179 -0.95 . . . . 0.0 108.565 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -53.34 -43.02 67.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.409 -0.807 . . . . 0.0 109.175 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -64.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.77 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.7 -46.37 10.29 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 120.043 -1.661 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -65.34 -35.33 80.66 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.865 -1.147 . . . . 0.0 109.045 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.77 -42.81 98.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.39 -0.819 . . . . 0.0 109.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.8 -44.52 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.356 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.5 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.8 tt -69.59 -46.41 66.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.414 -0.804 . . . . 0.0 109.359 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.2 m -46.58 -46.8 19.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.963 . . . . 0.0 109.931 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.29 65.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 0.0 109.375 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.465 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -58.93 -51.97 67.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 0.0 109.173 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -67.51 -30.56 70.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.718 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.26 -43.24 87.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.931 . . . . 0.0 109.606 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -80.04 -49.17 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.64 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 109.774 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.83 -42.97 72.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.225 -0.922 . . . . 0.0 109.657 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -65.72 -35.9 82.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.4 mt -79.86 -55.89 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.783 -1.198 . . . . 0.0 109.824 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -34.29 76.58 Favored Glycine 0 N--CA 1.503 3.125 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.45 -52.89 7.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.653 -1.499 . . . . 0.0 109.254 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.581 HD23 ' C ' ' D' ' 28' ' ' LEU . 7.2 tt -63.05 -51.57 66.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.341 -0.849 . . . . 0.0 109.242 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.99 -34.85 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.163 -0.96 . . . . 0.0 109.578 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -57.43 11.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.203 -0.935 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.457 HG23 ' O ' ' D' ' 31' ' ' ILE . 15.3 tt -79.01 48.13 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -100.57 -42.16 6.67 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.382 -0.824 . . . . 0.0 109.18 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.451 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 6.4 ptt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 1' ' ' MET . 3.5 tt 86.57 -62.41 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 122.054 -0.404 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.9 tt0 -67.73 -48.56 41.84 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 120.447 -1.408 . . . . 0.0 109.281 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -95.1 -26.43 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.921 2.414 . . . . 0.0 112.632 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 23.8 t80 -85.91 -46.64 10.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.117 -0.989 . . . . 0.0 110.789 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tp60 -45.31 -59.98 2.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.971 -1.08 . . . . 0.0 110.374 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -51.68 -20.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 O-C-N 121.943 -0.473 . . . . 0.0 110.154 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.6 tt -73.42 -47.39 42.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.973 -1.08 . . . . 0.0 108.162 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.45 -37.3 77.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.298 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.2 -62.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.563 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.26 -45.08 5.67 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 120.339 -1.476 . . . . 0.0 110.972 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -62.0 -37.53 85.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.627 -1.296 . . . . 0.0 109.331 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.75 -45.89 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 0.0 109.277 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.44 -32.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -77.3 -38.59 50.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.85 . . . . 0.0 109.565 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 109.995 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.48 54.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.444 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 tp -54.47 -49.88 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.154 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.87 -40.19 94.52 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.612 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.92 -52.21 66.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.128 -0.982 . . . . 0.0 109.634 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.84 -38.79 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -0.885 . . . . 0.0 109.9 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.224 -0.922 . . . . 0.0 109.699 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -74.68 -43.96 52.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -67.51 -33.82 75.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.227 -0.92 . . . . 0.0 110.107 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 95.7 mt -77.33 -54.29 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.904 -1.123 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -33.91 87.47 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.979 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -73.01 -48.29 37.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.575 -1.544 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.98 -40.3 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 21.1 m120 -58.22 -33.72 69.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.926 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -60.06 -47.52 85.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.2 tt -92.79 57.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' O ' ' OXT' ' A' ' 33' ' ' ARG . 83.9 tttt -159.4 -53.23 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 109.5 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' OXT' ' O ' ' A' ' 32' ' ' LYS . 17.9 tpt180 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' B' ' 2' ' ' LEU . 0.1 OUTLIER -152.68 -130.45 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.139 -0.976 . . . . 0.0 109.545 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' H ' ' HG ' ' B' ' 2' ' ' LEU . 16.0 tt0 -145.8 -59.69 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.188 -1.57 . . . . 0.0 110.98 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.534 ' HD2' ' H ' ' B' ' 3' ' ' GLU . 8.5 Cg_endo -48.39 -62.67 0.4 Allowed 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.482 1.454 . . . . 0.0 112.434 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' B' ' 5' ' ' PHE . 66.1 t80 -76.52 1.93 15.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.239 -0.913 . . . . 0.0 110.132 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -74.63 -29.86 61.44 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.996 -1.065 . . . . 0.0 110.912 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.66 -26.33 16.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 121.426 -0.796 . . . . 0.0 110.125 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.7 tt -76.72 -41.37 45.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.915 -1.116 . . . . 0.0 108.105 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -60.12 -45.16 93.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 0.0 109.845 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.7 mt -64.07 -61.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.092 -1.005 . . . . 0.0 110.387 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.428 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.1 m -41.03 -46.37 2.86 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 120.009 -1.682 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -63.75 -34.45 77.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.493 -1.38 . . . . 0.0 109.579 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 10' ' ' ILE . 83.3 t80 -64.09 -57.2 10.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 pt -61.19 -36.33 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.139 -0.976 . . . . 0.0 110.109 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -70.13 -46.49 64.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.47 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -50.01 -54.0 23.03 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.943 . . . . 0.0 110.194 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.921 -1.112 . . . . 0.0 109.578 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.474 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -53.4 -48.05 69.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 108.669 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -66.55 -52.02 50.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.0 109.486 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -48.27 -44.41 33.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.013 -1.054 . . . . 0.0 109.739 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mm -77.02 -63.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.41 -26.31 0.53 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 110.343 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -81.03 -45.7 16.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.163 -0.961 . . . . 0.0 109.668 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' B' ' 28' ' ' LEU . 53.6 m -66.61 -41.08 88.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.105 -0.997 . . . . 0.0 110.424 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.8 mp -79.11 -43.97 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.463 -1.398 . . . . 0.0 109.544 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -23.71 70.81 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.57 -69.73 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.679 -1.483 . . . . 0.0 110.714 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.996 ' H ' HD13 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -60.65 -7.02 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.853 -1.155 . . . . 0.0 111.142 -178.086 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.636 ' N ' HD22 ' B' ' 28' ' ' LEU . 14.4 m120 -77.82 -53.02 7.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.849 -1.157 . . . . 0.0 109.012 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -56.35 -28.49 59.21 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.987 -1.071 . . . . 0.0 108.27 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.9 mt -94.78 49.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.501 -0.75 . . . . 0.0 109.008 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -157.94 -4.81 0.09 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.766 . . . . 0.0 109.484 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.484 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 64.6 mtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.0 tp 79.93 -61.01 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.601 -0.687 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 16.3 tt0 -61.82 -38.6 51.54 Favored Pre-proline 0 C--N 1.3 -1.574 0 O-C-N 120.756 -1.215 . . . . 0.0 110.353 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 35.6 Cg_exo -60.77 -73.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.019 1.813 . . . . 0.0 112.177 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -151.82 9.69 0.53 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.812 -1.18 . . . . 0.0 112.135 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -55.91 6.32 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 119.57 -1.956 . . . . 0.0 110.924 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.9 -23.85 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.97 -1.081 . . . . 0.0 109.774 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' C' ' 8' ' ' LEU . 0.7 OUTLIER -66.13 -42.1 89.57 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.369 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -68.54 -43.59 76.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.646 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.51 -50.4 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.0 -1.063 . . . . 0.0 110.12 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -56.98 -47.63 80.32 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 119.804 -1.81 . . . . 0.0 110.979 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -64.09 -29.34 70.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.876 -1.14 . . . . 0.0 109.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.78 -52.8 15.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.42 -32.93 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.98 -36.93 56.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.24 -0.913 . . . . 0.0 109.695 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -61.83 -50.78 70.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.032 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -42.59 74.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.065 -1.022 . . . . 0.0 109.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.88 -36.48 83.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.07 -46.96 75.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.993 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.42 -56.35 22.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.088 -1.008 . . . . 0.0 109.724 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.38 -57.5 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.958 . . . . 0.0 109.607 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.4 -33.7 2.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.224 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -74.75 -44.16 51.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.141 -0.974 . . . . 0.0 109.996 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -62.32 -35.92 80.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -82.01 -58.0 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.722 -1.236 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.64 61.09 Favored Glycine 0 N--CA 1.504 3.19 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.096 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.25 -47.43 50.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.526 -1.573 . . . . 0.0 109.105 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.63 -35.77 68.71 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.183 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.01 -34.12 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.78 -50.48 66.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.965 . . . . 0.0 109.686 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.542 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.7 tp -84.76 48.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.067 -1.021 . . . . 0.0 108.965 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -100.46 -43.55 6.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 109.017 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ARG . . . . . 0.661 ' NH2' HH22 ' D' ' 33' ' ' ARG . 95.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.461 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.804 HD22 ' N ' ' D' ' 2' ' ' LEU . 1.7 mm? -84.62 -121.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 108.576 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.759 ' H ' ' CD ' ' D' ' 4' ' ' PRO . 2.3 mt-10 -146.55 -42.12 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.219 -1.551 . . . . 0.0 109.965 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.759 ' CD ' ' H ' ' D' ' 3' ' ' GLU . 87.3 Cg_endo -97.3 -53.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.774 2.316 . . . . 0.0 112.606 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.81 -48.86 62.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 110.017 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' D' ' 8' ' ' LEU . 55.3 tp60 -51.18 -71.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -0.984 . . . . 0.0 109.981 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -41.65 -21.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.507 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' D' ' 6' ' ' GLN . 3.3 tt -75.04 -53.31 9.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.474 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -55.95 -36.47 67.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.258 -0.901 . . . . 0.0 109.259 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' D' ' 11' ' ' SER . 18.2 mm -60.63 -56.41 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.109 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.4 m -42.18 -51.16 4.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 120.04 -1.662 . . . . 0.0 110.973 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -44.36 77.32 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.59 -34.79 65.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.925 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.77 -53.5 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.522 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.551 ' N ' HD12 ' D' ' 15' ' ' LEU . 10.1 mp -62.06 -30.31 70.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 0.0 109.441 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -60.16 -46.95 87.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.0 109.825 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.37 53.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.0 109.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.28 -47.5 81.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.97 -40.64 96.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.907 . . . . 0.0 109.833 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.27 -51.72 65.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.821 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.1 -43.16 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.3 69.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 109.594 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -73.0 -43.76 61.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 0.0 109.417 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 43.3 m -64.46 -34.99 79.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.261 -0.9 . . . . 0.0 109.816 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.26 -58.95 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.791 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.42 -35.52 79.77 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -69.8 -46.62 65.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.648 -1.501 . . . . 0.0 109.123 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.43 -37.87 88.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.357 -0.839 . . . . 0.0 109.227 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.34 -37.35 74.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.928 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.78 -46.35 89.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 pt -87.99 51.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 109.109 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -108.33 -45.57 3.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ARG . . . . . 0.661 HH22 ' NH2' ' C' ' 33' ' ' ARG . 80.2 mtm180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 56.3 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 85.2 -61.49 0.07 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 122.018 -0.426 . . . . 0.0 110.538 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.1 mm-40 -75.02 -43.66 4.67 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 120.622 -1.298 . . . . 0.0 110.036 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 64.3 Cg_endo -101.79 -7.53 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 123.256 2.637 . . . . 0.0 112.585 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 36.2 t80 -111.99 -63.36 1.43 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.38 -0.825 . . . . 0.0 110.597 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -54.07 -24.51 17.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.804 -1.185 . . . . 0.0 109.753 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 tt -73.2 -23.05 19.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.302 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.31 -44.4 21.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 108.556 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -57.92 -41.96 83.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.379 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.97 -65.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 0.0 109.626 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -46.1 -45.19 16.21 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 119.986 -1.697 . . . . 0.0 110.958 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -68.75 -21.1 64.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.744 -1.222 . . . . 0.0 109.688 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.6 -58.43 3.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.208 -0.933 . . . . 0.0 109.877 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.75 -36.48 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.997 -1.065 . . . . 0.0 109.542 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.17 -35.52 66.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.054 . . . . 0.0 109.406 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -55.92 -49.14 74.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 0.0 109.575 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.26 91.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.162 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -51.49 -50.3 60.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.368 -0.832 . . . . 0.0 109.144 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -66.28 -30.95 71.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 109.798 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.57 -48.06 81.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.95 . . . . 0.0 109.939 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -75.49 -29.92 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.069 -1.019 . . . . 0.0 109.636 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.46 78.36 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -75.97 -48.31 21.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.287 -0.883 . . . . 0.0 109.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -65.37 -34.49 78.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.119 -0.988 . . . . 0.0 110.327 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.54 -53.33 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.794 -1.191 . . . . 0.0 109.93 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.68 -33.51 84.61 Favored Glycine 0 N--CA 1.503 3.138 0 C-N-CA 119.647 -1.263 . . . . 0.0 109.985 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -72.21 -45.24 61.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.551 -1.558 . . . . 0.0 109.1 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.03 -36.21 74.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.196 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.82 -33.78 72.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -61.17 -46.0 92.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.6 tt -92.63 55.48 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -157.66 -67.69 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.924 -1.11 . . . . 0.0 109.369 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.479 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 64.7 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.495 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 3.1 tt 85.42 -62.08 0.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.999 -0.438 . . . . 0.0 110.041 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.8 mt-10 -65.29 -49.28 65.58 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 120.526 -1.359 . . . . 0.0 109.138 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 36.0 Cg_endo -95.39 -33.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.866 2.378 . . . . 0.0 112.467 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.495 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 41.3 t80 -76.28 -47.03 25.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.194 -0.942 . . . . 0.0 110.882 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 8' ' ' LEU . 21.1 tp60 -47.02 -66.76 0.36 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.875 -1.14 . . . . 0.0 110.005 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -45.01 -21.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.425 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.6 tt -75.06 -50.16 17.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.85 -1.156 . . . . 0.0 108.499 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -57.64 -35.05 69.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.861 . . . . 0.0 109.319 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.91 -54.53 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -44.83 -48.16 11.03 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 120.041 -1.662 . . . . 0.0 110.978 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -57.92 -45.23 86.84 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.607 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -63.55 -48.45 77.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.687 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.41 -43.52 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.744 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -67.33 -34.73 77.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 109.653 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -59.29 -56.93 15.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -0.944 . . . . 0.0 109.914 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.62 68.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.598 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.431 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -61.53 -56.52 19.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.92 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' B' ' 20' ' ' PHE . 4.1 p80 -65.4 -29.12 69.79 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.015 -1.053 . . . . 0.0 109.85 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.607 ' N ' ' ND1' ' B' ' 19' ' ' HIS . 83.9 t80 -58.51 -45.76 88.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.963 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.75 -37.54 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.69 67.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -81.98 -55.14 4.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.0 m -62.9 -34.56 77.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.024 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.75 -54.3 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.899 -1.125 . . . . 0.0 109.73 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -30.18 76.71 Favored Glycine 0 N--CA 1.502 3.045 0 C-N-CA 119.733 -1.222 . . . . 0.0 110.059 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -53.72 -41.2 66.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.534 -1.568 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.25 -48.09 54.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -52.58 -41.73 63.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.187 -0.945 . . . . 0.0 109.03 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -57.86 -35.48 71.0 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 mt -87.98 48.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.386 -0.821 . . . . 0.0 108.951 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -169.76 42.06 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.581 -0.699 . . . . 0.0 109.251 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.457 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 59.7 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.8 tt 84.17 -61.86 0.1 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.915 -0.491 . . . . 0.0 110.083 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.7 mt-10 -69.85 -43.15 19.95 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 120.482 -1.386 . . . . 0.0 109.992 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 68.1 Cg_endo -101.38 -7.01 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.202 2.601 . . . . 0.0 112.474 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.423 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 30.4 t80 -112.62 -37.86 4.78 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.421 -0.8 . . . . 0.0 110.723 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -47.63 -54.68 11.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.724 -1.235 . . . . 0.0 110.094 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.47 ' O ' ' OG ' ' C' ' 11' ' ' SER . 20.4 tt -51.74 -18.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.845 -0.535 . . . . 0.0 109.825 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.436 ' C ' HD23 ' C' ' 8' ' ' LEU . 5.6 tt -80.82 -51.81 8.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.155 -0.966 . . . . 0.0 108.75 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -59.59 -48.58 81.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.218 -0.926 . . . . 0.0 109.711 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.589 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.5 mp -66.3 -56.21 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.166 -0.959 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' C' ' 7' ' ' ILE . 75.1 m -41.06 -52.31 3.22 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 119.961 -1.712 . . . . 0.0 110.964 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -57.77 -40.64 80.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.63 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' C' ' 13' ' ' PHE . 33.3 t80 -65.42 -50.02 67.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.321 -0.862 . . . . 0.0 109.855 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.98 -38.14 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.241 -0.912 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.543 ' O ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -72.49 -41.02 66.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.192 -0.943 . . . . 0.0 109.453 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 97.9 p -51.82 -49.47 62.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.105 -0.997 . . . . 0.0 110.003 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.64 84.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.166 -0.959 . . . . 0.0 109.776 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 19.3 tp -55.86 -50.02 71.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.66 -45.91 87.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.18 -0.95 . . . . 0.0 109.686 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -48.6 -53.33 18.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.925 . . . . 0.0 109.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.53 -59.86 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.138 -0.976 . . . . 0.0 109.496 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -77.36 -45.58 25.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -0.953 . . . . 0.0 109.764 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -59.29 -36.61 75.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.926 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.645 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -83.33 -60.03 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.729 -1.232 . . . . 0.0 109.41 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.11 -34.94 32.63 Favored Glycine 0 N--CA 1.504 3.18 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.136 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -81.65 -58.61 2.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.547 -1.56 . . . . 0.0 109.318 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.538 HD23 ' C ' ' C' ' 28' ' ' LEU . 6.9 tt -56.86 -51.57 68.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' C' ' 29' ' ' ASN . 47.6 t-20 -52.46 -33.81 46.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -63.57 -55.76 21.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 109.612 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 31' ' ' ILE . 14.6 tt -80.43 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.061 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -101.22 -44.34 5.7 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.159 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.513 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.847 HD13 ' N ' ' D' ' 2' ' ' LEU . 0.0 OUTLIER -86.24 -90.31 0.11 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.07 -1.019 . . . . 0.0 109.727 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.574 ' H ' HD23 ' D' ' 2' ' ' LEU . 0.2 OUTLIER -173.39 -60.35 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 120.86 -1.15 . . . . 0.0 110.099 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.7 -58.91 0.16 Allowed 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.577 1.518 . . . . 0.0 112.269 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -69.72 -19.48 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 0.0 110.06 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -46.65 -74.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.372 1.082 . . . . 0.0 110.61 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -58.63 -19.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.608 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.542 HD13 ' O ' ' D' ' 8' ' ' LEU . 0.3 OUTLIER -71.26 -45.44 63.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -65.83 -47.96 73.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.736 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mt -63.74 -46.1 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.053 -1.03 . . . . 0.0 109.541 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -49.87 -49.69 48.47 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 119.925 -1.734 . . . . 0.0 111.003 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -60.79 -31.33 70.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 109.62 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -73.11 -53.58 10.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.501 -0.75 . . . . 0.0 109.957 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.92 -41.16 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.0 109.427 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.8 tt -69.24 -46.14 68.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.128 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -45.42 -48.45 13.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.164 -0.96 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.84 74.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -51.14 -43.08 61.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -68.16 -30.92 70.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.9 -50.09 72.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.915 . . . . 0.0 109.808 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 16.5 pt -73.33 -31.52 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.162 -0.961 . . . . 0.0 109.749 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.83 74.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 0.0 109.667 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -77.89 -46.72 20.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -68.73 -32.74 72.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.111 -0.993 . . . . 0.0 110.162 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.69 -51.84 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.873 -1.142 . . . . 0.0 109.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.12 -32.47 76.62 Favored Glycine 0 N--CA 1.503 3.116 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.222 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.42 -48.69 18.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.52 -1.576 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.22 -39.83 73.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.523 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -56.82 -39.71 74.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -58.95 -44.37 91.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.0 109.264 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -93.51 56.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.26 -0.9 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -152.19 -23.02 0.18 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.379 -0.826 . . . . 0.0 109.335 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.361 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 10.1 ptt? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.515 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 2.2 tt 85.29 -58.15 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.902 -0.499 . . . . 0.0 109.917 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.3 mt-10 -71.8 -50.13 10.08 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 120.532 -1.355 . . . . 0.0 108.996 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.3 Cg_endo -94.02 -24.21 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.796 2.331 . . . . 0.0 111.82 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 5.8 t80 -84.75 -52.2 6.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.168 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -46.3 -48.6 18.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.98 -1.075 . . . . 0.0 110.627 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.81 -21.08 25.0 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 0 O-C-N 121.903 -0.498 . . . . 0.0 110.097 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.71 -38.43 58.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.012 -1.055 . . . . 0.0 108.863 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -66.39 -46.27 77.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.855 . . . . 0.0 109.423 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -72.79 -20.9 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.0 109.077 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -81.08 -49.56 10.72 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.889 -1.757 . . . . 0.0 110.945 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -64.99 -26.99 68.53 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.063 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.68 -61.38 1.83 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 0.0 109.778 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -57.11 -31.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.86 -33.43 62.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 109.567 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m -61.98 -53.34 56.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.887 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.58 70.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.39 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.23 -41.08 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 109.083 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -71.96 -36.35 69.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -67.87 -54.53 18.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.188 -0.945 . . . . 0.0 109.673 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 22' ' ' ALA . 9.8 tp -63.67 -36.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.186 -0.946 . . . . 0.0 109.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -66.07 -34.41 78.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.865 . . . . 0.0 109.624 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -71.58 -44.34 64.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.349 -0.844 . . . . 0.0 109.562 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -61.77 -32.9 73.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.185 -0.947 . . . . 0.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 82.8 mt -85.41 -61.02 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.964 -1.085 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . -51.95 -35.85 41.22 Favored Glycine 0 N--CA 1.504 3.229 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.299 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.62 -48.8 13.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.413 -1.639 . . . . 0.0 109.661 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.1 tt -68.44 -53.48 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 109.946 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 30' ' ' GLN . 39.4 p-10 -51.55 -29.4 16.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.962 -1.086 . . . . 0.0 109.878 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.536 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 64.9 tp60 -64.8 -53.48 46.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 31' ' ' ILE . 15.1 tt -85.8 53.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-O 121.995 0.902 . . . . 0.0 109.202 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -168.74 -53.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.025 -1.047 . . . . 0.0 109.636 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.474 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.481 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 22.5 ttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.485 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 2.5 tt 83.07 -61.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.879 -0.513 . . . . 0.0 109.996 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.3 mt-10 -64.37 -50.09 68.67 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 120.374 -1.454 . . . . 0.0 109.375 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 32.6 Cg_endo -96.04 -25.44 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.784 2.323 . . . . 0.0 112.45 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.485 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 25.1 t80 -86.06 -44.17 12.51 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 110.857 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -45.92 -63.95 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.937 -1.102 . . . . 0.0 110.036 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.3 -21.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.832 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.527 HD23 ' O ' ' B' ' 8' ' ' LEU . 1.7 tt -74.33 -50.15 19.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.025 -1.047 . . . . 0.0 108.431 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -56.11 -33.48 65.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.317 -0.864 . . . . 0.0 109.302 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.69 -58.85 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.0 109.551 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.55 -40.17 3.83 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.292 -1.505 . . . . 0.0 110.953 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -63.22 -44.16 96.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.657 -1.277 . . . . 0.0 109.382 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.59 -47.57 69.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.36 -0.837 . . . . 0.0 109.582 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.5 -40.83 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.928 . . . . 0.0 109.514 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -72.54 -45.13 60.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.278 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -48.29 -49.06 35.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.968 . . . . 0.0 109.86 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.82 -49.88 54.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.474 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -50.33 -51.13 48.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.246 -0.909 . . . . 0.0 109.174 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.72 -34.94 79.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.742 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.5 -44.29 96.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.481 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.06 -44.86 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 109.662 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.98 81.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.799 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -62.63 -44.08 97.2 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.205 -0.935 . . . . 0.0 109.586 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -62.19 -33.88 75.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.17 -58.29 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.954 -1.091 . . . . 0.0 110.197 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.22 70.82 Favored Glycine 0 N--CA 1.504 3.182 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.638 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.403 ' CE1' HD11 ' B' ' 31' ' ' ILE . 61.4 t60 -50.69 -47.49 58.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.317 -1.696 . . . . 0.0 109.375 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.3 mm? -63.92 -41.74 97.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.905 . . . . 0.0 109.252 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -52.1 -41.94 62.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.132 -0.98 . . . . 0.0 108.797 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.31 -38.32 88.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' B' ' 27' ' ' HIS . 21.3 mt -91.61 52.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.342 -0.849 . . . . 0.0 108.712 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -159.23 -60.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 0.0 109.366 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.547 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 19.6 ptt? . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.507 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 2.5 tt 83.31 -61.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.836 -0.54 . . . . 0.0 109.979 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.61 -52.11 28.28 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 120.554 -1.341 . . . . 0.0 109.252 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -92.25 -24.28 0.33 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.525 2.15 . . . . 0.0 112.297 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.507 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 17.2 t80 -86.33 -49.79 7.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 110.744 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -44.62 -55.31 5.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.005 -1.06 . . . . 0.0 110.753 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.54 -19.19 10.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.162 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.505 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -77.26 -52.21 9.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.041 -1.037 . . . . 0.0 108.97 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -60.79 -40.96 94.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.971 . . . . 0.0 109.697 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.52 -36.71 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.122 -0.986 . . . . 0.0 109.663 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -63.87 -41.81 97.66 Favored 'General case' 0 C--O 1.207 -1.179 0 O-C-N 119.918 -1.739 . . . . 0.0 110.968 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 -28.45 68.29 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.625 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -66.94 -59.03 3.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 0.0 110.023 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 14.2 tt -56.23 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.105 -0.997 . . . . 0.0 109.725 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.556 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.6 tt -73.3 -42.47 62.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.345 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 61.6 m -50.91 -50.86 56.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.0 109.981 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.4 97.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.062 -1.024 . . . . 0.0 109.555 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.5 -39.62 70.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -65.03 -40.74 95.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.685 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.72 -54.65 42.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 109.869 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.403 HD13 HG21 ' C' ' 21' ' ' ILE . 12.8 mt -67.02 -47.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.696 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.79 65.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 0.0 109.414 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -63.45 -45.79 89.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.334 -0.854 . . . . 0.0 109.499 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -67.26 -32.93 74.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.946 . . . . 0.0 109.91 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -75.51 -56.27 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 109.885 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.6 91.02 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 119.575 -1.298 . . . . 0.0 109.895 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.77 -36.81 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.507 -1.584 . . . . 0.0 109.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.56 -32.03 42.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -60.94 -38.92 87.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.031 -1.043 . . . . 0.0 110.521 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.47 -40.97 93.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.979 -1.076 . . . . 0.0 110.177 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.604 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.8 tp -92.41 48.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.927 -1.108 . . . . 0.0 109.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -103.36 -41.5 6.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.533 -0.729 . . . . 0.0 109.16 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.391 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.364 0.602 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.79 HD22 ' N ' ' D' ' 2' ' ' LEU . 0.9 OUTLIER -89.24 -128.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.753 ' H ' ' CD ' ' D' ' 4' ' ' PRO . 1.2 tp10 -144.86 -45.66 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 120.395 -1.441 . . . . 0.0 108.482 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.753 ' CD ' ' H ' ' D' ' 3' ' ' GLU . 87.5 Cg_endo -98.16 -11.24 0.45 Allowed 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.803 2.336 . . . . 0.0 112.148 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -102.16 -57.85 1.99 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.321 -0.862 . . . . 0.0 110.154 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -47.41 -47.49 26.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.959 -1.088 . . . . 0.0 110.641 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 tp -68.13 -19.69 24.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-O 121.337 0.589 . . . . 0.0 109.783 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.86 -43.62 62.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.155 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -67.11 -50.25 62.12 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.56 -34.16 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.116 -0.99 . . . . 0.0 109.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -72.24 -43.27 64.62 Favored 'General case' 0 C--O 1.202 -1.417 0 O-C-N 119.815 -1.803 . . . . 0.0 110.993 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -60.62 -30.8 70.07 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.539 -0.865 . . . . 0.0 108.796 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -68.41 -46.05 70.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.463 -0.773 . . . . 0.0 109.131 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 mm -59.4 -45.02 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.506 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -66.62 -35.93 81.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.904 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -58.31 -51.49 69.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.0 110.232 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.95 -27.72 66.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.972 -1.08 . . . . 0.0 109.964 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -63.4 -52.74 60.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.697 -179.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -63.38 -43.62 97.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 110.131 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -56.09 -47.64 77.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 110.184 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mm -69.97 -43.17 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 0.0 109.796 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.86 99.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.123 -0.986 . . . . 0.0 109.899 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -62.99 -43.87 97.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.178 -0.951 . . . . 0.0 109.678 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.8 m -61.87 -34.04 75.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.944 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.33 -60.15 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -37.32 73.55 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.17 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.23 -50.12 43.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.466 -1.608 . . . . 0.0 109.249 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.76 -36.8 85.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 0.0 109.227 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -56.9 -41.6 78.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.927 . . . . 0.0 109.495 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.91 -48.11 82.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 pt -90.1 54.57 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.248 -0.907 . . . . 0.0 109.014 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -115.58 -38.0 3.85 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.499 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 84.23 -62.03 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.884 -0.51 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.0 mm-40 -65.68 -49.04 62.67 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 120.469 -1.394 . . . . 0.0 109.282 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.4 Cg_endo -95.29 -27.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.936 2.424 . . . . 0.0 112.525 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 37.0 t80 -85.13 -44.71 12.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.199 -0.938 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 8' ' ' LEU . 65.8 tt0 -46.25 -65.82 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 110.09 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.47 -20.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.047 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.0 tt -74.61 -51.37 14.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.956 -1.09 . . . . 0.0 108.39 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -58.76 -37.9 77.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.261 -0.9 . . . . 0.0 109.387 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.89 -57.77 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.256 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -43.29 -51.24 6.37 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 120.001 -1.687 . . . . 0.0 111.011 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -58.67 -38.53 78.38 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.312 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.29 -41.92 94.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.35 -50.35 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 109.304 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.5 tt -63.83 -40.16 95.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -48.25 -51.18 26.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.11 -0.993 . . . . 0.0 109.683 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.93 65.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.21 -0.931 . . . . 0.0 109.618 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.45 -43.05 79.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.132 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -67.68 -36.51 80.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.713 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.38 -49.08 78.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 22' ' ' ALA . 15.3 tt -77.66 -37.74 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.048 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -68.02 -44.48 76.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.122 -0.986 . . . . 0.0 109.928 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -64.87 -43.67 92.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.197 -0.94 . . . . 0.0 109.788 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -64.65 -35.75 82.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.87 -57.02 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.796 -1.19 . . . . 0.0 109.855 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -33.98 82.58 Favored Glycine 0 N--CA 1.503 3.112 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -77.79 -51.09 11.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.582 -1.54 . . . . 0.0 109.426 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.67 -42.57 95.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.286 -0.884 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.3 -38.97 81.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.969 . . . . 0.0 109.49 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -53.91 -50.38 66.53 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.918 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' ILE . 14.1 tt -91.03 57.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 0.0 109.139 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -168.79 -69.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.582 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.438 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 32.7 mt 67.73 -55.54 0.48 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.888 -0.507 . . . . 0.0 111.196 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 0.6 OUTLIER -71.52 -49.9 11.05 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.528 -1.358 . . . . 0.0 109.598 -179.348 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 69.7 Cg_endo -103.6 -5.24 0.22 Allowed 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 123.183 2.589 . . . . 0.0 112.739 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.4 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 58.6 t80 -108.26 -68.48 0.9 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.267 -0.896 . . . . 0.0 111.415 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -45.88 -63.81 0.89 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.831 -1.168 . . . . 0.0 110.62 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -46.88 -22.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 121.172 0.51 . . . . 0.0 109.775 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.12 -48.06 25.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.035 -1.04 . . . . 0.0 108.503 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -56.06 -31.85 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 108.97 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 26.0 mm -66.05 -54.54 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -44.37 -48.96 9.8 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.353 -1.467 . . . . 0.0 110.936 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.0 t -62.05 -41.27 97.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.585 -1.322 . . . . 0.0 109.511 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.31 -49.29 77.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.353 -0.842 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.86 -38.12 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.868 . . . . 0.0 109.596 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.25 -45.45 63.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -47.14 -50.82 19.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.193 -0.942 . . . . 0.0 109.8 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.52 76.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.389 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.509 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -52.51 -46.94 66.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 0.0 109.013 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -68.27 -36.31 79.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.99 -55.19 27.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.735 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.37 -35.49 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.58 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.19 71.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -65.34 -46.23 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -66.85 -34.45 77.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.021 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -76.44 -54.1 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.863 -1.148 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -33.92 87.32 Favored Glycine 0 N--CA 1.502 3.078 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.25 -46.05 61.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.548 -1.56 . . . . 0.0 109.076 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.48 -33.89 66.39 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.386 -0.821 . . . . 0.0 109.086 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.92 -36.61 79.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.212 -0.93 . . . . 0.0 109.416 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -57.8 -46.55 84.49 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.408 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.484 HG23 ' O ' ' B' ' 31' ' ' ILE . 13.3 tt -92.77 56.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-O 121.999 0.904 . . . . 0.0 108.936 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -159.88 -61.9 0.07 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.999 -1.063 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.471 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' C' ' 5' ' ' PHE . 9.6 tp -73.63 -21.65 60.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.352 -0.842 . . . . 0.0 109.308 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.79 ' O ' ' N ' ' C' ' 5' ' ' PHE . 0.2 OUTLIER 76.74 160.22 0.15 Allowed Pre-proline 0 N--CA 1.504 2.26 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -178.092 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -9.07 54.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.485 1.008 1 C-N-CA 125.547 4.165 . . . . 0.0 114.587 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.79 ' N ' ' O ' ' C' ' 3' ' ' GLU . 2.6 t80 -163.17 -46.12 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' C' ' 7' ' ' ILE . 17.2 pt20 -56.2 -42.29 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.488 ' N ' ' CG ' ' C' ' 6' ' ' GLN . 8.1 tp -58.79 -22.1 20.41 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.063 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.0 -41.0 26.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.205 -0.934 . . . . 0.0 109.064 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -59.24 -51.42 70.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.575 ' N ' HD12 ' C' ' 10' ' ' ILE . 2.3 mp -69.47 -58.72 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.057 -1.027 . . . . 0.0 109.286 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.6 m -45.41 -49.87 12.89 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 119.914 -1.741 . . . . 0.0 110.971 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -58.91 -37.2 76.1 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.423 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -61.82 -45.48 93.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 109.551 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.04 -45.01 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 109.58 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.17 -36.04 78.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -56.5 -54.61 43.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.049 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -57.8 5.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.054 -1.029 . . . . 0.0 109.702 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.35 -33.71 6.11 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 109.519 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -69.69 -40.67 76.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.709 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -72.08 -51.2 22.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.833 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.2 mm -55.63 -47.91 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.09 74.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.643 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -71.48 -43.5 66.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.825 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 61.4 m -66.8 -32.97 74.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.251 -0.906 . . . . 0.0 110.132 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 85.9 mt -81.45 -55.19 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.888 -1.132 . . . . 0.0 110.023 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.81 92.0 Favored Glycine 0 N--CA 1.503 3.1 0 C-N-CA 119.597 -1.287 . . . . 0.0 109.964 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.08 -44.23 63.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.523 -1.575 . . . . 0.0 109.29 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.45 -35.78 78.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -57.46 -35.77 70.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.718 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.66 -51.81 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.947 . . . . 0.0 109.596 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.432 HG23 ' O ' ' C' ' 31' ' ' ILE . 11.1 tt -84.49 50.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.0 109.09 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.81 -54.85 2.44 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.463 -0.773 . . . . 0.0 109.249 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.491 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' D' ' 2' ' ' LEU . 29.3 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.6 tt 83.17 -59.6 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.774 -0.579 . . . . 0.0 110.194 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.2 tt0 -67.7 -48.87 41.46 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 120.346 -1.471 . . . . 0.0 109.327 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 42.4 Cg_endo -95.98 -22.54 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.905 2.403 . . . . 0.0 112.652 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.466 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 23.5 t80 -90.92 -43.9 9.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.19 -0.944 . . . . 0.0 110.903 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -46.2 -52.09 13.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.857 -1.152 . . . . 0.0 110.429 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.12 -18.56 5.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.357 0.599 . . . . 0.0 109.496 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.0 tt -78.5 -53.16 7.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.91 . . . . 0.0 108.786 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.0 p -56.86 -45.13 82.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 0.0 109.679 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' D' ' 11' ' ' SER . 96.2 mt -62.58 -51.5 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.162 -0.962 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.407 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.2 m -42.27 -52.71 4.38 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 120.061 -1.65 . . . . 0.0 110.961 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -59.86 -42.34 93.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.54 -36.38 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.331 -0.855 . . . . 0.0 109.556 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.61 -44.63 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.27 -29.65 62.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.194 -0.941 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 65.5 p -64.36 -43.64 93.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.61 -51.13 11.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.394 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -53.54 -37.95 63.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -69.73 -42.56 73.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -63.02 -57.0 12.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.123 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -59.85 -34.15 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.145 -0.972 . . . . 0.0 110.026 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.18 -22.4 52.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.886 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -80.79 -46.48 15.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.1 -1.0 . . . . 0.0 109.502 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' D' ' 25' ' ' ILE . 3.5 t -63.18 -47.64 81.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.925 . . . . 0.0 109.363 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG2' ' D' ' 24' ' ' THR . 96.7 mt -63.15 -57.62 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.842 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -27.17 67.47 Favored Glycine 0 N--CA 1.501 3.032 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -81.06 -55.88 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.764 -1.433 . . . . 0.0 109.316 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.51 -43.28 55.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.363 -0.835 . . . . 0.0 109.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -55.82 -34.92 65.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.932 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.52 -45.19 94.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.293 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 pt -91.27 54.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.195 -0.94 . . . . 0.0 109.456 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -156.81 -56.58 0.08 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.436 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 20.3 ptt? . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.4 tt 84.8 -59.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.875 -0.515 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.2 tt0 -73.05 -47.84 7.96 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 120.598 -1.314 . . . . 0.0 109.619 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -97.8 -16.16 0.26 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.091 2.527 . . . . 0.0 112.878 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.424 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 46.6 t80 -102.06 -62.45 1.26 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.203 -0.936 . . . . 0.0 111.27 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -53.9 -26.0 22.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.68 -1.262 . . . . 0.0 110.06 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 tt -72.2 -20.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -79.31 -47.05 16.52 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -57.18 -37.98 72.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -0.808 . . . . 0.0 109.718 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.08 -67.24 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 109.989 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.79 -43.78 8.87 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 120.086 -1.634 . . . . 0.0 110.967 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -61.36 -43.89 98.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.813 -1.18 . . . . 0.0 109.22 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.06 -50.13 74.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.45 -34.73 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.3 tt -74.01 -43.94 56.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 0.0 109.42 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -50.23 -51.63 42.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.02 . . . . 0.0 109.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -42.03 94.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.02 -1.05 . . . . 0.0 109.578 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.2 tp -50.92 -45.03 60.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.24 -38.11 89.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.494 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.58 -52.76 64.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -70.93 -44.78 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.231 -0.918 . . . . 0.0 109.567 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.75 70.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.7 -43.36 66.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.288 -0.882 . . . . 0.0 109.547 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.4 m -66.17 -35.15 79.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 110.056 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.84 -55.52 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.881 -1.137 . . . . 0.0 109.747 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.28 83.96 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -75.2 -49.64 18.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.588 -1.536 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.23 -41.56 94.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -0.87 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -59.75 -36.46 76.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.152 -0.968 . . . . 0.0 109.525 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -57.85 -48.61 79.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -90.92 55.04 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.257 -0.902 . . . . 0.0 109.178 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -166.12 -69.83 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.479 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' NH2' HH21 ' B' ' 33' ' ' ARG . 74.2 ttt180 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.46 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.451 ' H ' ' HB3' ' B' ' 6' ' ' GLN . 20.7 tp -78.01 -75.87 0.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.087 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.12 -51.79 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 120.577 -1.327 . . . . 0.0 110.861 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.91 -95.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.285 1.99 . . . . 0.0 113.252 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -74.91 -34.74 62.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.473 -0.767 . . . . 0.0 112.318 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.451 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 26.2 tt0 -54.36 -72.45 0.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.147 -1.596 . . . . 0.0 109.988 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -48.68 -20.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-O 121.225 0.536 . . . . 0.0 110.074 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -73.73 -55.9 5.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.955 . . . . 0.0 109.46 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -57.1 -54.69 43.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 109.798 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.597 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.7 mp -54.15 -36.76 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 108.772 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -57.69 -43.14 84.88 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 120.039 -1.663 . . . . 0.0 110.928 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -61.27 -38.27 86.13 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.352 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -62.01 -49.12 77.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.574 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.1 mt -53.08 -50.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 109.373 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.72 -37.26 81.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.225 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.5 t -51.05 -42.22 60.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.0 65.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.207 -0.933 . . . . 0.0 109.32 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.497 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -58.95 -46.86 86.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.966 . . . . 0.0 108.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -60.42 -42.67 96.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -69.61 -49.8 50.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.925 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.62 -41.27 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.181 -0.95 . . . . 0.0 109.58 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.35 76.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -68.25 -44.86 74.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.633 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -64.63 -33.59 76.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.989 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -80.68 -57.12 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.137 . . . . 0.0 110.118 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.53 ' O ' ' ND2' ' B' ' 29' ' ' ASN . . . -61.33 -34.47 88.32 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.388 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -76.98 -38.88 52.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.627 . . . . 0.0 110.334 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tt -47.79 -51.24 23.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.88 -1.138 . . . . 0.0 110.134 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 30' ' ' GLN . 19.6 p30 -55.68 -41.68 74.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.531 ' N ' ' OD1' ' B' ' 29' ' ' ASN . 66.9 mt-30 -55.11 -31.98 61.66 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 108.59 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -91.26 50.21 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 109.064 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -163.81 -74.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.499 -0.751 . . . . 0.0 109.44 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ARG . . . . . 0.451 HH21 ' NH2' ' A' ' 33' ' ' ARG . 69.1 mtp85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.404 ' O ' ' N ' ' C' ' 3' ' ' GLU . 55.6 mmm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 32.6 mt 67.18 -56.19 0.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.82 -0.55 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' C' ' 1' ' ' MET . 1.3 mt-10 -67.89 -52.43 24.7 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.533 -1.355 . . . . 0.0 109.331 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -103.01 -9.93 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.411 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 69.5 t80 -100.66 -69.87 0.76 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 111.321 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -46.13 -50.32 15.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.859 -1.151 . . . . 0.0 110.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -55.93 -23.02 14.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.66 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.507 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -74.5 -44.92 49.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 108.732 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -59.5 -35.52 74.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.3 -0.875 . . . . 0.0 109.725 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.14 -55.35 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -0.975 . . . . 0.0 109.523 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -46.15 -45.93 16.94 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.048 -1.658 . . . . 0.0 110.959 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.64 -33.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.685 -1.26 . . . . 0.0 109.405 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.58 -40.06 84.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.438 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.82 -49.14 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.28 -24.82 67.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.12 -0.987 . . . . 0.0 109.087 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 10.1 p -65.18 -50.78 64.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 109.577 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.46 68.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.68 -39.78 89.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -64.51 -45.57 86.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -56.05 -49.98 72.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 0.0 110.016 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.68 -53.01 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.016 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.18 67.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.232 -0.918 . . . . 0.0 110.142 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -62.77 -44.4 96.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.793 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -65.29 -33.04 75.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.856 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 93.2 mt -76.04 -59.17 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.978 -1.076 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -35.61 92.32 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.101 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.25 -49.61 41.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.505 -1.586 . . . . 0.0 109.382 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.37 -35.81 80.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -60.41 -37.98 82.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.641 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -59.09 -45.91 89.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.59 HG23 ' O ' ' C' ' 31' ' ' ILE . 10.8 tp -93.4 56.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.224 -0.922 . . . . 0.0 109.21 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -156.54 -60.55 0.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.949 -1.095 . . . . 0.0 109.333 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.524 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.471 ' N ' HD23 ' D' ' 2' ' ' LEU . 22.5 ttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.863 ' N ' HD23 ' D' ' 2' ' ' LEU . 0.3 OUTLIER -141.28 -100.53 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.257 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.544 ' H ' ' HG ' ' D' ' 2' ' ' LEU . 7.4 mt-10 -139.55 -65.66 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 120.737 -1.227 . . . . 0.0 109.936 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.531 ' HD2' ' H ' ' D' ' 3' ' ' GLU . 33.3 Cg_endo -61.64 -23.52 76.5 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.3 2.0 . . . . 0.0 113.726 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -97.54 -63.13 1.16 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.719 -1.238 . . . . 0.0 111.04 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -50.94 -28.35 9.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.044 -1.035 . . . . 0.0 110.206 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ILE . . . . . 0.404 HG22 ' O ' ' D' ' 3' ' ' GLU . 17.5 tt -72.86 -20.95 19.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.239 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.416 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.9 tt -79.63 -48.58 13.51 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -56.3 -38.87 71.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' D' ' 11' ' ' SER . 93.3 mt -65.81 -64.5 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.665 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' D' ' 10' ' ' ILE . 97.5 p -44.41 -36.97 3.12 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.119 -1.613 . . . . 0.0 110.986 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -62.67 -41.99 99.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.068 -1.02 . . . . 0.0 109.075 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -59.23 -38.23 79.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.0 109.081 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -63.1 -37.86 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.231 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.702 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 -58.88 5.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.202 -0.936 . . . . 0.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.92 94.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.086 -1.009 . . . . 0.0 109.716 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.68 -44.51 96.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 0.0 109.383 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -67.09 -37.23 83.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.873 . . . . 0.0 109.709 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -59.35 -52.22 66.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 109.934 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.2 -43.86 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.0 109.883 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.3 93.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.158 -0.964 . . . . 0.0 109.941 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -66.87 -44.99 79.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.935 . . . . 0.0 109.892 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 51.5 m -60.79 -34.08 73.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 0.0 110.223 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.408 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.5 mt -78.37 -60.72 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.842 -1.161 . . . . 0.0 110.114 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.71 -36.22 91.27 Favored Glycine 0 N--CA 1.503 3.124 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.038 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.99 -49.43 57.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.528 -1.572 . . . . 0.0 109.143 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.34 -37.42 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.0 109.082 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.4 m120 -58.51 -37.78 76.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.2 -46.04 92.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 pt -88.92 51.54 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.189 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -108.86 -43.22 4.28 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.476 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 32.6 tpp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 2.5 tt 81.9 -59.82 0.21 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.774 -0.579 . . . . 0.0 110.217 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.4 mt-10 -67.81 -50.41 33.98 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 120.346 -1.471 . . . . 0.0 109.355 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 41.3 Cg_endo -94.54 -24.33 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.718 2.279 . . . . 0.0 112.254 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 27.0 t80 -86.5 -46.93 9.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.227 -0.921 . . . . 0.0 110.747 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -46.11 -51.0 14.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.85 -1.156 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -59.46 -17.05 11.74 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.149 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.8 tt -82.1 -55.05 4.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.079 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 p -56.3 -42.74 78.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 0.0 109.45 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' SER . 96.2 mt -62.74 -54.08 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 0.0 109.285 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -42.05 -51.03 4.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 120.118 -1.614 . . . . 0.0 110.925 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -57.53 -40.81 79.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -0.858 . . . . 0.0 109.487 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.56 -39.73 73.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.0 109.69 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.03 -47.27 91.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 0.0 109.645 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.8 tt -68.78 -42.66 77.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.264 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m -47.97 -46.94 33.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.122 -0.986 . . . . 0.0 109.761 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -48.88 68.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.279 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -48.59 -55.3 11.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 109.17 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -57.87 -39.04 76.87 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -57.58 -45.48 85.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.172 -0.955 . . . . 0.0 109.569 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.95 -47.58 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.973 . . . . 0.0 109.618 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.96 74.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.0 109.747 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -69.36 -44.94 70.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.219 -0.925 . . . . 0.0 109.476 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.95 -33.16 74.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.962 . . . . 0.0 109.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -76.22 -61.25 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.983 -1.073 . . . . 0.0 110.034 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.0 90.71 Favored Glycine 0 N--CA 1.503 3.149 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.238 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.93 -47.83 49.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.486 -1.597 . . . . 0.0 109.269 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.84 -38.62 91.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.322 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.72 -36.86 79.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.192 -0.943 . . . . 0.0 109.622 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.03 -45.49 68.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.196 -0.94 . . . . 0.0 109.189 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.96 58.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 122.277 1.037 . . . . 0.0 108.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -160.91 -62.68 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.676 -1.265 . . . . 0.0 109.549 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.441 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 42.3 ttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.2 tt 84.93 -57.78 0.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.925 -0.484 . . . . 0.0 110.117 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.8 tt0 -75.18 -46.66 4.62 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.588 -1.32 . . . . 0.0 109.403 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 51.8 Cg_endo -99.82 -13.66 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 123.137 2.558 . . . . 0.0 113.058 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.411 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 45.5 t80 -104.26 -61.46 1.44 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.106 -0.996 . . . . 0.0 111.014 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.87 -29.67 42.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.716 -1.24 . . . . 0.0 110.059 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 tt -70.15 -21.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.055 0 O-C-N 121.575 -0.703 . . . . 0.0 109.272 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.2 tt -79.85 -47.8 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.6 p -57.31 -35.9 70.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.634 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.22 -63.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.127 -0.983 . . . . 0.0 109.71 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.79 -39.19 5.06 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 119.986 -1.696 . . . . 0.0 110.969 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -67.66 -42.15 82.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.145 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.16 -49.34 77.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.217 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.21 -35.46 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.264 -0.898 . . . . 0.0 109.34 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.61 -43.14 66.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.0 108.977 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -49.14 -52.89 23.52 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.169 -0.957 . . . . 0.0 109.809 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.23 88.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.472 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.98 -47.32 44.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.969 . . . . 0.0 109.004 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -59.75 -42.18 92.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.251 -0.906 . . . . 0.0 109.72 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -59.85 -46.06 90.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.596 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mm -69.83 -49.41 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 109.447 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.88 49.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.898 . . . . 0.0 109.757 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -76.21 -49.3 17.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.185 -0.947 . . . . 0.0 109.52 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.9 m -64.62 -31.62 72.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.423 ' O ' ' OD1' ' B' ' 29' ' ' ASN . 96.5 mt -72.55 -58.89 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.53 77.82 Favored Glycine 0 N--CA 1.503 3.162 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.176 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -70.27 -50.74 36.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.473 -1.604 . . . . 0.0 109.153 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.57 -42.16 70.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.318 -0.864 . . . . 0.0 109.311 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 25' ' ' ILE . 24.8 m120 -54.5 -48.65 71.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.188 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.92 -36.11 62.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 108.664 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.7 50.0 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -166.17 36.1 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.418 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' C' ' 3' ' ' GLU . 4.6 tp 71.01 -136.03 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.742 -0.599 . . . . 0.0 109.802 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.575 ' C ' ' H ' ' C' ' 5' ' ' PHE . 1.0 OUTLIER 50.36 -172.48 0.01 OUTLIER Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 120.273 -1.517 . . . . 0.0 107.825 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 76.8 Cg_exo -52.26 9.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.988 1.792 . . . . 0.0 113.185 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.575 ' H ' ' C ' ' C' ' 3' ' ' GLU . 36.5 t80 -97.01 -74.34 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.88 -1.137 . . . . 0.0 110.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -65.94 -39.21 90.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.542 -1.349 . . . . 0.0 110.019 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.47 HG22 ' O ' ' C' ' 3' ' ' GLU . 10.8 tp -60.05 -20.3 19.56 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.02 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.67 -43.4 18.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -57.18 -37.09 71.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 109.177 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.05 -64.21 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -47.66 -49.6 27.05 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.134 -1.604 . . . . 0.0 110.998 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.2 t -61.53 -43.66 98.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 109.687 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -51.93 -51.21 58.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.133 -0.979 . . . . 0.0 109.496 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.65 -37.33 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.535 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.88 -41.13 75.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.155 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -52.36 -56.99 11.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.269 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.59 98.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.913 -1.117 . . . . 0.0 109.815 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.42 -39.41 60.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.205 -0.934 . . . . 0.0 109.346 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -69.93 -48.36 58.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.284 -0.885 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -63.01 -52.32 63.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.0 110.048 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.555 ' O ' HD13 ' C' ' 21' ' ' ILE . 0.2 OUTLIER -60.32 -44.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.982 -1.074 . . . . 0.0 108.912 -179.703 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' C' ' 21' ' ' ILE . . . -63.97 -35.28 80.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -63.43 -43.93 96.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.499 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 85.5 m -65.09 -31.83 73.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.7 -59.72 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.72 -35.55 92.06 Favored Glycine 0 N--CA 1.502 3.065 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.484 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.349 -1.677 . . . . 0.0 109.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.77 -36.4 78.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.312 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -57.91 -37.01 73.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.0 109.683 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -54.16 -41.88 68.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.226 -0.921 . . . . 0.0 109.471 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt -91.06 53.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 CA-C-O 122.18 0.991 . . . . 0.0 109.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -152.42 -61.22 0.16 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.036 -1.04 . . . . 0.0 109.389 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.483 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.526 ' N ' ' OE1' ' D' ' 6' ' ' GLN . 94.5 mmm . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.167 0.508 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.76 HD22 ' N ' ' D' ' 2' ' ' LEU . 2.6 mm? -83.62 -83.83 0.14 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.126 -0.984 . . . . 0.0 109.071 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.7 mt-10 172.87 -47.85 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 120.726 -1.234 . . . . 0.0 108.861 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 37.2 Cg_endo -94.8 -37.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 123.006 2.47 . . . . 0.0 112.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -89.14 -57.81 2.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.891 . . . . 0.0 110.497 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' D' ' 1' ' ' MET . 36.8 tp60 -49.57 -42.36 44.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 109.911 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.38 -20.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.3 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.501 HD23 ' O ' ' D' ' 8' ' ' LEU . 5.0 tt -74.84 -51.85 12.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.929 . . . . 0.0 108.653 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 27.7 p -57.77 -37.57 73.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.338 -0.851 . . . . 0.0 110.163 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.14 -62.5 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.005 -1.059 . . . . 0.0 109.8 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -42.88 -47.06 5.54 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 119.931 -1.73 . . . . 0.0 110.962 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 21.3 p -61.41 -37.59 84.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.655 -1.278 . . . . 0.0 109.682 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.67 -42.46 92.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.587 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.44 -40.94 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 109.248 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.553 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.6 tt -69.31 -44.66 71.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -48.62 -49.75 35.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.869 . . . . 0.0 110.061 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.92 81.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.095 -1.003 . . . . 0.0 109.738 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.89 -48.44 79.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.298 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.59 -36.83 85.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.24 -48.47 80.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.593 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -45.11 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 109.667 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.04 83.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.615 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.34 -43.46 90.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -60.69 -33.98 73.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.84 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.6 mt -78.89 -62.34 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 110.053 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.86 82.31 Favored Glycine 0 N--CA 1.503 3.126 0 C-N-CA 119.71 -1.233 . . . . 0.0 110.277 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -71.01 -52.47 19.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.47 -1.606 . . . . 0.0 109.322 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.21 -37.9 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.223 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 22.4 m120 -62.25 -38.75 90.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -57.66 -42.71 84.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 109.156 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -91.91 55.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -154.46 -54.15 0.1 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.796 . . . . 0.0 109.413 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.452 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 14.4 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.8 tt 84.31 -62.87 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.915 -0.491 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -63.52 -48.35 81.4 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.329 -1.482 . . . . 0.0 109.495 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 38.7 Cg_endo -96.04 -29.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.943 2.429 . . . . 0.0 112.785 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 47.2 t80 -83.82 -42.99 15.85 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.172 -0.955 . . . . 0.0 111.074 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.473 ' OE1' ' CG1' ' A' ' 10' ' ' ILE . 1.4 tm0? -45.99 -64.02 0.84 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 110.499 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -51.08 -21.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.9 tt -72.12 -52.82 14.91 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.78 -1.2 . . . . 0.0 108.535 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -53.1 -37.81 62.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 109.115 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CG1' ' OE1' ' A' ' 6' ' ' GLN . 33.0 mm -58.22 -53.95 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.0 109.255 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.59 -47.0 10.31 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 120.377 -1.452 . . . . 0.0 110.999 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -61.13 -42.06 97.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.748 -1.22 . . . . 0.0 109.24 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.68 -50.53 70.79 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.376 -0.828 . . . . 0.0 109.454 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.97 -38.71 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.333 -0.854 . . . . 0.0 109.648 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 15' ' ' LEU . 2.1 tt -71.47 -48.6 48.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -45.91 -46.24 15.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.75 70.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 109.45 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -54.19 -48.57 70.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.88 -33.41 74.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.351 -0.843 . . . . 0.0 109.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.02 -51.68 68.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.205 -0.934 . . . . 0.0 109.694 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -75.66 -44.96 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.761 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.78 85.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -64.79 -43.49 93.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.906 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.8 m -65.3 -34.21 77.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.843 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -79.8 -57.8 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.938 -1.101 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.73 -34.3 86.13 Favored Glycine 0 N--CA 1.503 3.134 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.246 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -76.57 -49.65 15.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.537 -1.566 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.6 -41.46 96.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -58.11 -37.81 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.19 -49.66 73.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.261 -0.899 . . . . 0.0 109.451 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -90.79 56.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.218 -0.926 . . . . 0.0 109.037 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 33' ' ' ARG . 56.9 tttp -158.05 -68.93 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.059 -1.026 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 32' ' ' LYS . 52.9 ttp180 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.484 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.678 ' H1 ' HD12 ' B' ' 10' ' ' ILE . 27.9 tpp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' B' ' 3' ' ' GLU . 57.4 tp -50.96 -78.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 0.0 108.823 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 2' ' ' LEU . 1.7 tt0 167.82 -49.09 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.655 -1.278 . . . . 0.0 110.802 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -92.57 -52.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 122.325 2.017 . . . . 0.0 114.009 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -105.77 -46.21 4.2 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.237 -0.914 . . . . 0.0 111.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.422 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 12.7 tt0 -56.3 -22.26 29.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.863 -1.148 . . . . 0.0 110.135 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 tt -73.59 -20.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.327 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.68 -47.45 9.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.86 . . . . 0.0 108.794 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -54.8 -50.16 69.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.966 . . . . 0.0 109.287 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.678 HD12 ' H1 ' ' B' ' 1' ' ' MET . 94.2 mt -68.18 -58.44 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.938 . . . . 0.0 109.55 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.2 m -40.63 -50.27 3.02 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 120.053 -1.654 . . . . 0.0 110.956 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -58.01 -41.06 82.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.197 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -54.25 -43.6 71.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -61.14 -44.79 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.469 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.8 -37.07 83.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.0 109.459 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.1 t -55.29 -56.16 23.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.0 109.714 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.35 64.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.101 -1.0 . . . . 0.0 109.498 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.485 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.38 -46.13 25.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 109.156 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -63.94 -48.76 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -53.84 -49.93 67.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 23' ' ' TRP . 30.6 mm -68.46 -62.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.8 -21.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.42 -0.8 . . . . 0.0 110.438 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.466 ' N ' ' O ' ' B' ' 21' ' ' ILE . 40.4 t-105 -84.09 -48.03 10.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.043 -1.035 . . . . 0.0 109.779 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 59.6 m -65.72 -35.33 80.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.593 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.633 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.5 mp -80.41 -49.66 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.71 -1.244 . . . . 0.0 109.805 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.97 -29.66 74.93 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.791 -1.195 . . . . 0.0 110.455 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -58.32 -36.07 72.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.443 -1.622 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.95 -37.04 70.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.42 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -52.61 -48.13 66.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.89 -34.38 67.83 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 108.831 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mt -88.98 46.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 108.99 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -100.19 -43.85 6.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.629 -0.669 . . . . 0.0 109.342 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.536 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 24.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.7 tt 83.26 -61.41 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.785 -0.572 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.4 tt0 -70.59 -47.31 17.81 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.124 -1.61 . . . . 0.0 109.744 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 43.0 Cg_endo -96.77 -23.07 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.983 2.455 . . . . 0.0 113.187 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.436 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 68.7 t80 -94.31 -65.75 0.96 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.071 -1.018 . . . . 0.0 111.289 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -48.28 -31.31 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.642 -1.287 . . . . 0.0 110.673 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -69.02 -25.05 29.04 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.026 0 O-C-N 121.314 -0.866 . . . . 0.0 109.306 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -75.06 -38.99 61.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -57.7 -44.52 85.92 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.563 -0.711 . . . . 0.0 109.616 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' C' ' 11' ' ' SER . 77.3 mt -63.71 -56.24 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.178 -0.951 . . . . 0.0 109.536 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' C' ' 10' ' ' ILE . 75.5 m -43.52 -47.22 7.24 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 119.987 -1.696 . . . . 0.0 110.988 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -40.71 87.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 109.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.84 -44.91 95.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.438 -0.789 . . . . 0.0 109.799 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.89 -42.26 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.877 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -70.08 -34.94 73.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.713 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' C' ' 17' ' ' ALA . 10.4 p -61.55 -57.18 13.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 109.948 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ALA . . . . . 0.46 ' N ' ' OG ' ' C' ' 16' ' ' SER . . . -64.42 -50.63 66.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.927 . . . . 0.0 109.439 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -48.43 -44.43 35.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.242 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.06 -34.74 71.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.23 -0.919 . . . . 0.0 109.464 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.27 -54.91 25.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.908 . . . . 0.0 109.934 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.419 HG23 ' N ' ' C' ' 22' ' ' ALA . 16.4 tt -66.68 -35.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 109.893 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.419 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -65.88 -40.58 91.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.07 -43.37 95.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.267 -0.896 . . . . 0.0 109.634 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -64.21 -35.34 80.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.271 -0.893 . . . . 0.0 110.055 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 88.1 mt -79.67 -57.07 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.785 -1.197 . . . . 0.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -35.25 85.88 Favored Glycine 0 N--CA 1.503 3.15 0 C-N-CA 119.611 -1.281 . . . . 0.0 109.975 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.74 -48.49 38.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.564 -1.55 . . . . 0.0 109.229 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.04 -36.69 80.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.112 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -57.06 -40.58 77.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.569 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.85 -50.39 72.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.212 -0.93 . . . . 0.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.579 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.6 tp -90.28 56.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 109.099 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -152.6 -34.8 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.102 -0.999 . . . . 0.0 109.224 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.529 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' D' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.7 tt 85.23 -59.52 0.08 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 122.014 -0.428 . . . . 0.0 110.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 0.6 OUTLIER -70.19 -49.63 17.58 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.619 -1.3 . . . . 0.0 109.326 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 38.0 Cg_endo -94.14 -23.19 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.754 2.303 . . . . 0.0 112.232 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.488 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 29.6 t80 -89.42 -48.11 7.55 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -45.97 -52.1 12.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.801 -1.187 . . . . 0.0 110.424 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.27 -17.47 6.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 121.233 0.539 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.434 HD23 ' C ' ' D' ' 8' ' ' LEU . 4.1 tt -82.43 -55.26 4.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 0.0 109.221 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p -54.72 -45.22 74.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.394 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' D' ' 11' ' ' SER . 79.1 mt -61.42 -49.65 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.211 -0.931 . . . . 0.0 109.141 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.1 m -41.96 -55.17 3.23 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 120.132 -1.605 . . . . 0.0 110.988 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -54.41 -44.03 72.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.504 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.43 -46.64 76.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -0.875 . . . . 0.0 109.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.16 -41.79 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.77 -32.39 72.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.33 -0.856 . . . . 0.0 109.581 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' D' ' 17' ' ' ALA . 24.0 p -61.91 -57.11 13.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 109.855 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ALA . . . . . 0.426 ' N ' ' OG ' ' D' ' 16' ' ' SER . . . -61.47 -49.04 78.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.122 -0.986 . . . . 0.0 109.514 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 tp -51.66 -47.14 63.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.892 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -72.36 -32.41 66.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -58.23 -48.83 79.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -76.39 -49.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.947 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.23 72.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.992 . . . . 0.0 109.734 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.42 -43.73 92.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.437 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.9 m -64.46 -34.25 77.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 0.0 109.927 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -58.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.884 -1.135 . . . . 0.0 109.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.3 87.43 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.722 -1.227 . . . . 0.0 110.286 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.48 -53.12 9.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.437 -1.625 . . . . 0.0 109.506 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.67 -44.34 96.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.0 109.428 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -54.71 -39.04 67.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 109.391 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.86 -46.8 84.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.0 109.272 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -90.73 55.56 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.343 -0.848 . . . . 0.0 109.287 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -163.39 -49.36 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.266 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 3' ' ' GLU . 60.7 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 58.0 mt 62.41 -63.03 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.764 -0.585 . . . . 0.0 111.554 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -60.73 -54.01 58.77 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.462 -1.399 . . . . 0.0 109.883 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -101.85 -8.56 0.24 Allowed 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 122.588 2.192 . . . . 0.0 112.922 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 59.6 t80 -100.83 -64.62 1.03 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.067 -1.02 . . . . 0.0 110.926 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.411 ' OE1' ' OG ' ' A' ' 9' ' ' SER . 5.5 tp-100 -46.82 -62.73 1.26 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.871 -1.143 . . . . 0.0 110.015 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 tt -47.77 -21.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.057 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.6 tt -72.84 -54.89 7.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.897 -1.127 . . . . 0.0 108.289 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 6' ' ' GLN . 88.1 p -51.14 -34.56 31.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.349 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.42 -59.83 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.164 -0.96 . . . . 0.0 109.444 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -44.52 -34.58 2.15 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.219 -1.551 . . . . 0.0 110.975 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -68.74 -42.65 77.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.585 -1.322 . . . . 0.0 109.685 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -63.39 -52.63 60.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.302 -0.874 . . . . 0.0 109.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.3 -39.07 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.477 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.9 tt -71.79 -45.95 59.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.445 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.7 p -48.78 -48.0 41.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.274 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.69 52.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.973 -1.079 . . . . 0.0 109.779 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.76 -43.5 69.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.928 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -69.53 -32.68 71.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.39 -51.09 67.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 0.0 109.5 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.18 -49.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.823 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.47 67.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.17 -0.956 . . . . 0.0 109.69 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.72 -42.5 70.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -63.87 -35.65 81.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.07 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.5 mt -81.18 -56.93 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.75 -1.219 . . . . 0.0 109.986 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.1 78.52 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.592 -1.289 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -77.21 -54.74 6.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.523 -1.575 . . . . 0.0 109.228 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 28' ' ' LEU . 8.0 tt -59.52 -49.47 77.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -0.873 . . . . 0.0 109.126 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -54.11 -35.89 62.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.71 -55.41 30.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.0 109.59 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -80.71 49.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.136 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -103.66 -51.24 3.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 109.374 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.491 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.783 HD22 ' N ' ' B' ' 2' ' ' LEU . 2.5 mm? -89.16 -88.32 0.16 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.093 -1.004 . . . . 0.0 109.046 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.4 mt-10 174.33 -46.63 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 120.665 -1.272 . . . . 0.0 108.76 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 41.7 Cg_endo -94.52 -35.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 123.057 2.505 . . . . 0.0 112.973 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 8' ' ' LEU . 79.1 t80 -93.02 -58.59 2.28 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.628 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.469 ' OE1' ' CD1' ' B' ' 10' ' ' ILE . 1.4 tm0? -49.8 -42.0 45.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 109.957 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.4 tt -61.59 -21.2 24.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.49 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.8 tt -76.04 -43.16 45.28 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -56.67 -52.81 63.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.316 -0.865 . . . . 0.0 109.67 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.469 ' CD1' ' OE1' ' B' ' 6' ' ' GLN . 96.7 mt -56.7 -55.16 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.082 -1.011 . . . . 0.0 109.478 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.3 m -41.16 -45.87 2.91 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 120.086 -1.634 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -60.92 -44.47 97.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -54.59 -43.46 72.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.46 -47.74 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.274 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.51 -33.09 74.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -58.72 -56.67 19.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.0 109.727 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.19 72.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.129 -0.982 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.488 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -48.88 -51.29 30.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.034 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.454 ' C ' ' ND1' ' B' ' 19' ' ' HIS . 10.5 t-80 -64.95 -40.75 95.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -0.924 . . . . 0.0 109.761 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.24 -49.74 76.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.102 -0.999 . . . . 0.0 109.667 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -71.44 -44.49 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.06 -1.025 . . . . 0.0 109.393 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.32 86.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.202 -0.936 . . . . 0.0 109.61 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -67.21 -44.37 79.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.206 -0.934 . . . . 0.0 109.189 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 40.0 m -63.09 -34.29 77.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.579 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.06 -61.3 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.08 -36.55 74.91 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.403 ' NE2' ' OE1' ' B' ' 30' ' ' GLN . 11.9 t-160 -65.76 -33.14 75.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.546 -1.561 . . . . 0.0 109.048 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -47.87 -48.03 31.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.415 -0.803 . . . . 0.0 109.105 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -49.51 -46.28 48.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 0.0 109.244 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.403 ' OE1' ' NE2' ' B' ' 27' ' ' HIS . 42.3 tt0 -55.24 -35.94 65.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.237 -0.914 . . . . 0.0 108.654 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -92.51 52.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.44 -0.788 . . . . 0.0 108.945 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -157.65 -64.82 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.493 -0.754 . . . . 0.0 109.417 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.486 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.468 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 42.1 mt 67.52 -52.84 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.826 -0.546 . . . . 0.0 111.097 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 2.6 tt0 -67.76 -50.3 34.9 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 120.401 -1.437 . . . . 0.0 108.734 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 50.4 Cg_endo -103.79 -4.94 0.22 Allowed 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 123.236 2.624 . . . . 0.0 112.621 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.468 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 28.9 t80 -108.08 -64.21 1.24 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.278 -0.889 . . . . 0.0 111.121 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -52.94 -28.47 23.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.625 -1.297 . . . . 0.0 109.592 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -71.61 -19.42 20.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.42 ' C ' HD23 ' C' ' 8' ' ' LEU . 7.5 tt -81.92 -49.49 10.25 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t -55.68 -41.64 74.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.85 . . . . 0.0 109.128 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' C' ' 11' ' ' SER . 84.9 mt -71.58 -52.87 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.322 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.9 m -43.37 -50.2 6.84 Favored 'General case' 0 C--O 1.205 -1.279 0 O-C-N 120.1 -1.625 . . . . 0.0 111.006 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -59.69 -44.74 93.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.657 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.35 -52.81 42.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.907 . . . . 0.0 109.516 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.5 mt -53.83 -45.03 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.541 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.538 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.2 tt -65.88 -39.02 90.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -51.21 -47.69 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.006 . . . . 0.0 109.74 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.35 78.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.108 -0.995 . . . . 0.0 109.402 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.3 -42.36 77.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.245 -0.91 . . . . 0.0 109.037 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.66 -45.67 93.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.641 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -56.81 -55.42 34.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.43 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.0 -59.73 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.26 -0.9 . . . . 0.0 109.245 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.93 -28.46 1.13 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.972 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -71.93 -44.11 64.16 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.158 -0.964 . . . . 0.0 109.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -63.42 -36.02 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 110.063 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.592 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.8 mp -79.64 -57.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.831 -1.168 . . . . 0.0 109.401 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.51 71.81 Favored Glycine 0 N--CA 1.503 3.163 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.195 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.37 -49.45 16.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.528 -1.572 . . . . 0.0 109.531 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.5 -38.94 93.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.47 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ASN . . . . . 0.533 ' C ' HD21 ' C' ' 29' ' ' ASN . 0.3 OUTLIER -50.45 -38.84 45.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -55.32 -48.73 73.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.85 58.23 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-O 122.231 1.015 . . . . 0.0 108.486 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -160.75 -74.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.781 -1.199 . . . . 0.0 109.463 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.498 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 1.3 mm? -83.48 -61.41 1.85 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' D' ' 5' ' ' PHE . 18.8 pt-20 -169.62 -173.67 0.28 Allowed Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -46.01 -5.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.475 1.45 . . . . 0.0 113.145 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' D' ' 3' ' ' GLU . 54.5 t80 -86.56 -65.23 1.04 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.94 -1.1 . . . . 0.0 109.276 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -50.48 -56.1 13.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.068 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.8 -34.26 30.39 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.779 -1.2 . . . . 0.0 109.512 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -63.26 -46.37 87.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.463 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.92 -49.79 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.053 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -44.55 -49.01 10.29 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 119.74 -1.85 . . . . 0.0 110.986 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -65.69 -42.51 91.13 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.791 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -53.12 -49.6 66.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 110.193 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 29.7 pt -66.23 -31.82 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.93 -1.106 . . . . 0.0 109.64 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.56 -35.83 65.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -62.34 -60.54 3.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.275 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.54 76.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.563 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 39.1 tp -57.18 -35.32 69.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.176 -0.953 . . . . 0.0 109.216 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -77.89 -35.92 50.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.19 -0.944 . . . . 0.0 109.595 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.99 -46.15 75.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ILE . . . . . 0.488 HG23 ' N ' ' D' ' 22' ' ' ALA . 21.1 tt -71.42 -39.79 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.965 . . . . 0.0 109.893 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ALA . . . . . 0.488 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -68.42 -41.82 79.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.182 -0.948 . . . . 0.0 109.803 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -62.78 -45.26 93.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.129 -0.982 . . . . 0.0 109.682 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -63.75 -33.38 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 110.079 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.9 mt -81.35 -57.59 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.925 -1.109 . . . . 0.0 109.995 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.05 -35.7 91.16 Favored Glycine 0 N--CA 1.504 3.232 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.371 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -71.3 -47.53 56.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.436 -1.626 . . . . 0.0 109.072 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -39.17 87.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.247 -0.908 . . . . 0.0 108.853 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.8 m120 -57.98 -38.86 76.86 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.319 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.93 -42.77 94.68 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.223 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -94.65 56.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -155.61 -55.38 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.41 -0.806 . . . . 0.0 109.38 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.356 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 23.0 ttt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 2.3 tt 80.43 -61.28 0.26 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.735 -0.603 . . . . 0.0 110.171 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -51.14 70.15 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 120.405 -1.434 . . . . 0.0 109.321 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -95.66 -28.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.624 2.216 . . . . 0.0 112.595 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.484 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 44.6 t80 -81.47 -43.81 18.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.186 -0.946 . . . . 0.0 110.958 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' LEU . 47.9 tt0 -45.99 -65.06 0.6 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.86 -1.15 . . . . 0.0 110.086 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tp -44.98 -22.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.0 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.5 tt -74.75 -41.71 59.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.942 -1.099 . . . . 0.0 108.403 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.0 p -62.45 -39.02 92.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.5 mp -62.29 -59.31 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -43.72 -42.19 5.27 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 120.143 -1.598 . . . . 0.0 111.009 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -70.7 -45.16 65.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.679 -1.263 . . . . 0.0 109.393 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.67 -46.2 89.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.617 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.74 -41.04 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.234 -0.916 . . . . 0.0 109.622 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.1 tt -72.68 -39.9 66.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 m -53.59 -45.99 70.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.063 -1.023 . . . . 0.0 109.956 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -49.02 50.17 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 109.596 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.68 -38.2 69.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.48 -40.33 92.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.934 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.44 -52.52 64.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.112 -0.993 . . . . 0.0 109.823 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.08 -39.18 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.96 85.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 109.76 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -66.87 -44.74 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 m -65.11 -33.99 77.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.97 -57.74 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.948 -1.095 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.67 -34.33 89.3 Favored Glycine 0 N--CA 1.503 3.148 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.247 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.48 -49.61 31.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.472 -1.605 . . . . 0.0 109.354 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.31 -35.49 62.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.24 -33.77 69.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.223 -0.923 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -60.74 -47.96 83.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.49 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.8 tt -91.53 55.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.189 -0.944 . . . . 0.0 109.135 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -157.14 -76.0 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.037 -1.039 . . . . 0.0 109.289 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.455 179.827 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 27.1 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' B' ' 1' ' ' MET . 3.1 tt 81.86 -59.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.839 -0.538 . . . . 0.0 110.126 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.7 tt0 -68.15 -48.58 37.22 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 120.44 -1.413 . . . . 0.0 109.49 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 42.4 Cg_endo -98.07 -15.34 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.946 2.431 . . . . 0.0 112.587 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.45 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 23.0 t80 -99.13 -40.82 7.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -46.32 -67.18 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.596 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.1 tt -58.45 -19.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.236 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.488 HD13 ' O ' ' B' ' 8' ' ' LEU . 0.4 OUTLIER -71.58 -54.68 9.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 108.925 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -59.51 -31.34 69.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.32 -59.89 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -44.85 -49.3 10.94 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 120.42 -1.425 . . . . 0.0 110.965 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -64.32 -40.94 96.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.868 -1.145 . . . . 0.0 109.478 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.91 -43.83 91.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.656 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.05 -52.13 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.454 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 15' ' ' LEU . 2.3 tt -61.82 -44.65 96.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.064 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -45.99 -57.12 4.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.79 93.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.175 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.469 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -49.74 -53.97 21.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.03 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -36.94 76.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.72 -48.75 79.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 109.565 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.75 -43.77 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.18 98.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.712 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -63.28 -45.48 91.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 0.0 109.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -63.15 -33.94 76.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -0.931 . . . . 0.0 109.842 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.23 -58.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.92 -1.113 . . . . 0.0 110.057 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.54 76.94 Favored Glycine 0 N--CA 1.503 3.121 0 C-N-CA 119.88 -1.153 . . . . 0.0 110.504 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -54.21 -38.93 66.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.405 -1.644 . . . . 0.0 109.512 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 mt -52.27 -42.62 63.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.147 -0.971 . . . . 0.0 109.666 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -49.87 -44.2 49.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.139 -0.976 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -57.84 -34.59 69.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.924 . . . . 0.0 108.699 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -91.29 49.85 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 109.024 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -170.81 39.37 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.438 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.54 ' H2 ' ' HB3' ' C' ' 6' ' ' GLN . 13.1 mmt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.963 ' H ' HD22 ' C' ' 2' ' ' LEU . 0.9 OUTLIER -74.45 -130.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.764 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 1.3 mt-10 -141.24 -42.64 0.02 OUTLIER Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 120.341 -1.474 . . . . 0.0 109.615 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.764 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 77.6 Cg_endo -99.68 -7.41 0.47 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.856 2.37 . . . . 0.0 111.904 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -106.16 -63.03 1.3 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.436 -0.79 . . . . 0.0 111.0 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.623 HE22 ' C ' ' C' ' 3' ' ' GLU . 1.5 pm0 -52.07 -26.81 11.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.912 -1.118 . . . . 0.0 109.836 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.607 ' H ' ' NE2' ' C' ' 6' ' ' GLN . 8.2 tp -72.04 -23.36 21.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -74.0 -43.25 58.69 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -69.54 -52.05 29.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.429 -0.794 . . . . 0.0 109.453 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.5 mt -53.62 -39.74 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -67.71 -44.73 76.99 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 119.969 -1.707 . . . . 0.0 111.008 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -62.45 -24.32 67.37 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.364 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -76.96 -63.78 1.28 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.766 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.88 -32.81 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 0.0 109.685 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.56 -38.64 59.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -0.92 . . . . 0.0 109.505 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -55.69 -54.63 41.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 0.0 109.954 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.95 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.113 -0.992 . . . . 0.0 109.619 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 tp -48.26 -46.22 35.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.0 109.665 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.63 -33.96 76.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.0 110.163 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.58 -48.95 79.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 pt -72.49 -31.49 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.108 -0.995 . . . . 0.0 110.143 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.443 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -73.05 -25.07 60.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.034 -1.041 . . . . 0.0 109.603 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -77.42 -47.97 18.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.295 -0.878 . . . . 0.0 109.697 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -67.41 -33.28 74.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.854 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.41 -54.58 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.894 -1.129 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.44 86.49 Favored Glycine 0 N--CA 1.502 3.046 0 C-N-CA 119.605 -1.283 . . . . 0.0 109.933 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -76.12 -48.79 19.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.582 -1.54 . . . . 0.0 109.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.77 -41.99 91.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.17 -37.67 75.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.55 -50.43 73.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 109.533 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.596 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.1 tp -90.01 56.08 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.23 -0.919 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -154.73 -28.97 0.11 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.99 -1.069 . . . . 0.0 109.556 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.458 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.529 ' O ' ' CB ' ' D' ' 2' ' ' LEU . 58.2 mtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.0 tt 87.7 -65.14 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 122.011 -0.431 . . . . 0.0 110.997 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.5 mt-10 -72.11 -42.85 9.91 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.233 -1.542 . . . . 0.0 110.021 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 50.2 Cg_endo -100.53 -12.84 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.269 2.646 . . . . 0.0 113.026 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.441 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 41.3 t80 -106.83 -60.02 1.73 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.211 -0.931 . . . . 0.0 111.235 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -54.74 -27.74 43.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.648 -1.282 . . . . 0.0 110.297 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -71.98 -20.54 20.38 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.499 HD23 ' C ' ' D' ' 8' ' ' LEU . 6.0 tt -80.97 -51.9 8.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.2 t -57.23 -53.03 62.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.312 -0.868 . . . . 0.0 109.687 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.46 -53.94 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.97 . . . . 0.0 109.672 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.32 -43.83 11.08 Favored 'General case' 0 C--O 1.208 -1.097 0 O-C-N 119.877 -1.765 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -62.68 -46.79 86.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.45 -0.782 . . . . 0.0 109.839 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.73 -48.17 80.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 109.535 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.26 -45.05 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 0.0 109.736 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.533 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.0 OUTLIER -67.67 -41.89 83.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.201 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -47.79 -49.86 27.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.973 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.67 -52.32 52.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.74 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.89 -49.75 62.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.897 . . . . 0.0 109.517 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -63.33 -38.25 90.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 0.0 109.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.91 -50.58 72.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.63 -40.55 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.205 -0.934 . . . . 0.0 109.968 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.4 70.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.0 109.997 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' TRP . . . . . 0.443 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 45.6 t-105 -78.76 -44.72 22.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.572 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -63.01 -33.74 76.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.85 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.17 -60.85 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.889 -1.132 . . . . 0.0 110.017 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -34.22 87.06 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.737 -1.221 . . . . 0.0 110.165 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.23 -50.02 30.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.483 -1.598 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.03 -44.13 93.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -54.07 -41.6 68.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -56.21 -44.99 80.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.212 -0.93 . . . . 0.0 109.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -93.56 56.96 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.207 -0.933 . . . . 0.0 109.574 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -157.6 -65.17 0.09 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.373 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.325 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.62 ' H1 ' HD12 ' A' ' 10' ' ' ILE . 14.0 tpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.1 mm? -67.94 -88.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.013 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.771 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 9.0 pt-20 177.57 -24.13 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.111 -0.993 . . . . 0.0 111.93 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -97.19 -54.88 0.01 OUTLIER 'Trans proline' 0 N--CA 1.483 0.863 0 C-N-CA 121.64 1.56 . . . . 0.0 112.918 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -119.1 -46.37 2.52 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.952 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.455 ' HB2' ' H ' ' A' ' 2' ' ' LEU . 26.2 mm100 -57.61 -22.15 43.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.742 -1.224 . . . . 0.0 110.206 -178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.28 -20.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 O-C-N 121.505 -0.747 . . . . 0.0 109.396 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.53 -48.53 9.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 108.7 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -49.08 71.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.62 HD12 ' H1 ' ' A' ' 1' ' ' MET . 62.5 mt -72.76 -55.14 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.711 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' ILE . 71.0 m -43.08 -49.85 6.18 Favored 'General case' 0 C--O 1.207 -1.174 0 O-C-N 119.938 -1.726 . . . . 0.0 110.995 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -63.58 -43.21 97.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.397 -0.814 . . . . 0.0 109.839 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -58.04 -48.28 80.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.803 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.44 -42.04 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.452 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.52 -38.19 71.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 109.091 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 m -51.2 -42.94 61.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.178 -0.951 . . . . 0.0 109.777 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.67 59.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.119 -0.988 . . . . 0.0 109.579 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.6 -42.2 78.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.507 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -67.83 -36.47 80.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 109.792 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.47 -48.82 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.787 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.07 -41.16 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 109.807 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.94 79.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.685 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -74.04 -43.93 56.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -64.36 -36.6 84.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 110.128 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.99 -55.74 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.774 -1.204 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.42 86.55 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -72.73 -45.45 58.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.563 -1.551 . . . . 0.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.82 -31.98 65.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.395 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.19 -39.63 93.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 109.618 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -55.86 -45.46 78.48 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 109.494 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' ILE . 15.1 tt -93.63 55.92 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.161 -0.962 . . . . 0.0 108.799 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 33' ' ' ARG . 47.9 tttp -157.01 -73.32 0.1 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.327 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 32' ' ' LYS . 55.5 ttt85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.507 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 61.3 mtt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.9 tt 81.99 -60.55 0.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.895 -0.503 . . . . 0.0 110.086 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.3 mt-10 -65.14 -50.54 60.24 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 120.453 -1.404 . . . . 0.0 109.185 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 31.7 Cg_endo -95.55 -27.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.805 2.337 . . . . 0.0 112.575 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.478 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 25.7 t80 -83.2 -44.51 14.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.202 -0.936 . . . . 0.0 110.97 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -45.44 -63.98 0.83 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.963 -1.085 . . . . 0.0 110.249 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -46.99 -22.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.044 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.532 HD23 ' O ' ' B' ' 8' ' ' LEU . 1.2 tt -74.71 -43.42 55.18 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.013 -1.055 . . . . 0.0 108.577 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -60.34 -41.5 93.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.314 -0.866 . . . . 0.0 109.689 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.551 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.9 mp -61.0 -59.58 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.083 -1.01 . . . . 0.0 109.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.6 m -43.64 -39.79 3.77 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.045 -1.659 . . . . 0.0 110.977 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -60.54 -42.75 97.16 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.815 -1.178 . . . . 0.0 109.14 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -62.57 -38.02 88.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 109.751 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.31 -46.99 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.22 -30.91 71.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 0.0 109.633 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 54.9 m -60.29 -53.42 57.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.975 . . . . 0.0 109.9 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -50.48 62.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 109.573 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -51.18 -42.27 60.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.0 109.446 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -70.77 -35.96 72.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.562 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -66.58 -56.71 9.5 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.593 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -61.51 -35.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.401 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.56 -44.15 68.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.777 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -64.43 -44.7 90.36 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.199 -0.938 . . . . 0.0 109.527 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.1 m -61.07 -32.92 72.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.128 -0.983 . . . . 0.0 109.902 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.84 -59.47 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.886 -1.134 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.12 -34.28 72.6 Favored Glycine 0 N--CA 1.504 3.2 0 C-N-CA 119.859 -1.162 . . . . 0.0 110.71 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' B' ' 27' ' ' HIS . 8.0 t-80 -55.34 -35.18 64.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.401 -1.647 . . . . 0.0 109.658 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.05 -35.9 71.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -49.54 -40.32 37.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.139 -0.975 . . . . 0.0 109.045 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -63.75 -34.01 76.94 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mt -85.75 43.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.435 -0.791 . . . . 0.0 109.126 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -97.05 -59.34 1.81 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.567 -0.708 . . . . 0.0 109.532 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.519 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 12.2 ttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.6 tt 82.23 -58.52 0.2 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.86 -0.525 . . . . 0.0 110.076 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 0.6 OUTLIER -68.27 -49.69 32.14 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 120.463 -1.398 . . . . 0.0 109.264 -179.598 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 37.3 Cg_endo -96.4 -23.03 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.842 2.362 . . . . 0.0 112.562 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' PHE . . . . . 0.48 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 35.4 t80 -88.01 -45.68 10.0 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.13 -0.982 . . . . 0.0 110.828 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.483 ' OE1' ' CG1' ' C' ' 10' ' ' ILE . 1.4 tm0? -44.77 -62.45 1.21 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.0 -1.063 . . . . 0.0 110.612 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.43 -21.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.298 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.1 tt -70.43 -47.5 60.44 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.802 -1.186 . . . . 0.0 108.684 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.34 -31.01 72.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.102 -0.999 . . . . 0.0 109.803 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.483 ' CG1' ' OE1' ' C' ' 6' ' ' GLN . 35.5 mm -63.73 -59.55 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.065 -1.022 . . . . 0.0 110.101 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -49.83 -43.92 49.08 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 120.192 -1.568 . . . . 0.0 110.981 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -65.0 -40.46 94.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.531 -1.356 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.77 -46.47 78.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.515 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.48 -42.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 109.612 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.53 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.61 -41.72 75.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 109.433 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.5 p -49.82 -50.56 44.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.0 109.781 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.72 75.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.0 109.395 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.46 -46.75 70.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.915 . . . . 0.0 108.998 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -61.96 -35.43 78.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.411 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.68 -50.33 71.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.0 109.725 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.06 -45.88 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 109.922 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.77 73.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 0.0 109.706 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -66.66 -46.29 76.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.183 -0.948 . . . . 0.0 109.535 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -60.94 -32.88 72.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.985 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.65 -64.77 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -35.86 88.65 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.644 -1.265 . . . . 0.0 110.17 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.07 -49.64 49.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.465 -1.609 . . . . 0.0 109.355 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.12 -35.13 80.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.335 -0.853 . . . . 0.0 109.488 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -56.7 -35.57 68.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 0.0 109.664 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.25 -51.08 70.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 0.0 109.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.45 HG23 ' O ' ' C' ' 31' ' ' ILE . 13.1 tt -85.28 49.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.156 -0.965 . . . . 0.0 109.04 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -103.99 -45.32 4.78 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.374 -0.829 . . . . 0.0 109.217 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.55 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.415 HD23 ' H ' ' D' ' 5' ' ' PHE . 5.3 tp -76.77 -135.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.951 . . . . 0.0 108.889 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.445 ' CB ' ' CD ' ' D' ' 4' ' ' PRO . 11.5 mt-10 -149.43 -67.08 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.286 -1.509 . . . . 0.0 109.472 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 55.8 Cg_endo -66.72 -42.26 9.36 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.27 1.98 . . . . 0.0 112.335 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 5' ' ' PHE . . . . . 0.415 ' H ' HD23 ' D' ' 2' ' ' LEU . 80.5 t80 -84.18 -42.0 16.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.138 -0.976 . . . . 0.0 109.863 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -48.69 -53.27 19.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -57.73 -20.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.104 0 CA-C-O 121.264 0.554 . . . . 0.0 109.841 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.4 tt -71.49 -48.57 48.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -42.07 84.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.396 -0.815 . . . . 0.0 109.42 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' D' ' 11' ' ' SER . 28.0 mm -54.32 -59.6 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.072 -1.018 . . . . 0.0 109.137 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.412 ' C ' ' O ' ' D' ' 10' ' ' ILE . 70.7 m -43.95 -48.05 8.57 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 120.13 -1.606 . . . . 0.0 110.973 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -60.45 -40.59 91.68 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.584 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.634 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.07 -39.4 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.487 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.563 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.6 tt -72.15 -43.44 64.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.0 109.299 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -50.39 -47.78 56.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 110.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.07 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.954 . . . . 0.0 109.767 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.54 -49.48 75.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 109.405 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.46 -36.6 82.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.182 -0.949 . . . . 0.0 109.718 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.16 -50.99 71.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.946 . . . . 0.0 109.773 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -74.49 -37.62 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.203 -0.936 . . . . 0.0 109.807 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.55 73.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -71.55 -46.63 58.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.714 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -62.33 -32.35 73.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.795 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.06 -61.51 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.968 -1.083 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.86 88.37 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.617 -1.277 . . . . 0.0 109.976 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -72.17 -57.3 4.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.501 -1.588 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.28 -44.4 75.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.287 -0.883 . . . . 0.0 108.959 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -57.3 -40.26 77.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.342 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.33 -44.74 88.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.56 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -90.27 52.68 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -159.47 -52.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.501 -0.749 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.433 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.0 t80 . . . . . 0 N--CA 1.502 2.126 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -52.87 -26.03 13.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.79 -1.194 . . . . 0.0 110.061 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.68 -19.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 O-C-N 121.615 -0.678 . . . . 0.0 109.502 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 8' ' ' LEU . 4.8 tt -83.41 -48.89 9.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -57.38 -51.46 69.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.0 109.752 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 86.2 mt -64.04 -55.83 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.71 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.2 m -42.95 -50.6 5.82 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 119.932 -1.73 . . . . 0.0 110.96 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -59.33 -41.23 88.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 0.0 109.601 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -55.37 -46.49 76.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.4 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -58.07 -40.75 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.6 tt -68.93 -41.59 77.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.299 -0.876 . . . . 0.0 109.355 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 m -50.46 -52.5 37.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.066 -1.021 . . . . 0.0 109.913 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.89 79.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.93 -54.18 38.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.174 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -65.12 -37.12 86.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.736 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.21 -50.66 61.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.193 -0.942 . . . . 0.0 109.64 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.98 -45.57 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.633 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' B' ' 23' ' ' TRP . . . -57.71 -22.4 46.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.0 109.562 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -80.37 -47.08 14.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.0 109.35 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -62.26 -33.59 74.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.9 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.71 -60.7 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.939 -1.101 . . . . 0.0 109.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.98 -34.39 83.1 Favored Glycine 0 N--CA 1.502 3.085 0 C-N-CA 119.609 -1.281 . . . . 0.0 109.905 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -74.49 -52.25 12.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.575 -1.544 . . . . 0.0 109.395 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.265 -0.897 . . . . 0.0 109.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.297 -0.877 . . . . 0.0 109.446 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 N--CA 1.498 1.786 0 CA-C-O 121.432 0.513 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.484 ' O ' ' CD1' ' B' ' 5' ' ' PHE . 37.2 t80 -76.25 -15.31 60.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.479 -0.763 . . . . 0.0 109.786 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -69.81 0.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.077 0.941 . . . . 0.0 110.031 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.77 -22.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.14 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.847 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.528 ' O ' HD23 ' B' ' 8' ' ' LEU . 1.9 tt -71.07 -49.27 46.46 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.79 -1.194 . . . . 0.0 108.69 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -60.15 -38.86 84.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 109.374 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 11' ' ' SER . 19.5 mm -60.52 -58.59 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.428 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.421 ' C ' ' O ' ' B' ' 10' ' ' ILE . 71.1 m -43.17 -48.03 6.35 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 119.976 -1.702 . . . . 0.0 110.997 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -57.68 -35.53 70.73 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.616 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.87 -43.96 97.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.177 -0.952 . . . . 0.0 109.315 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -57.68 -46.84 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.342 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.89 -38.63 91.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 109.757 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 57.0 p -52.63 -47.16 67.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.115 -0.991 . . . . 0.0 109.599 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.11 -38.02 44.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.142 -0.974 . . . . 0.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.527 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -57.8 -38.17 75.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 109.063 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -73.68 -48.79 29.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.117 -0.989 . . . . 0.0 109.851 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.28 -46.68 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.919 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.536 ' O ' HD13 ' B' ' 21' ' ' ILE . 0.2 OUTLIER -67.76 -45.35 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.294 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.456 ' N ' ' CG2' ' B' ' 21' ' ' ILE . . . -63.16 -37.31 86.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.075 . . . . 0.0 109.488 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 22' ' ' ALA . 62.8 t-105 -60.88 -44.93 96.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.201 -0.937 . . . . 0.0 109.412 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 33.8 m -62.49 -33.84 75.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 109.874 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -82.56 -58.3 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.986 -1.071 . . . . 0.0 110.382 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.37 82.52 Favored Glycine 0 N--CA 1.504 3.218 0 C-N-CA 119.852 -1.166 . . . . 0.0 110.808 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.328 -1.69 . . . . 0.0 109.535 -179.735 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.555 0.217 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.7 -32.18 69.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.498 -1.376 . . . . 0.0 110.431 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -68.76 -18.07 22.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.922 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -83.53 -47.04 11.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 108.917 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.89 -42.79 76.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.66 -56.85 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.137 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -44.7 -52.88 7.87 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 111.0 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -61.73 -40.31 94.64 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.681 -0.807 . . . . 0.0 109.36 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -57.94 -48.69 79.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.17 -36.06 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 0.0 109.234 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.538 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.1 tt -71.77 -45.28 62.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -0.884 . . . . 0.0 109.189 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 62.4 m -46.95 -48.13 21.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.048 -1.032 . . . . 0.0 110.02 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -48.05 68.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.063 -1.023 . . . . 0.0 109.794 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.24 -49.71 63.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -64.03 -39.27 93.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.236 -0.915 . . . . 0.0 110.021 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.93 -51.86 67.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 109.787 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.57 -60.45 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.425 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -45.63 -28.03 0.9 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 110.15 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -73.62 -44.16 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -65.33 -35.89 82.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 110.519 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.603 HD12 ' N ' ' C' ' 25' ' ' ILE . 1.9 mp -81.57 -52.96 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.713 -1.242 . . . . 0.0 109.46 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.35 90.83 Favored Glycine 0 N--CA 1.503 3.166 0 C-N-CA 119.595 -1.288 . . . . 0.0 109.978 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -71.24 -43.56 67.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.568 -1.548 . . . . 0.0 109.195 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.92 -36.05 76.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.36 -0.837 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.63 -32.15 68.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.452 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -63.23 -50.13 71.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.0 109.637 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.41 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.8 tt . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.147 -0.971 . . . . 0.0 108.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.61 0.719 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -60.23 -25.38 65.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.842 . . . . 0.0 109.589 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 5.9 tp -74.03 -19.4 17.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.584 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.7 tt -79.89 -48.48 13.39 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.1 p -58.74 -49.43 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.591 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.91 -52.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -48.78 -40.83 30.37 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 119.913 -1.742 . . . . 0.0 110.984 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 98.6 p -67.08 -32.62 73.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.47 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -63.24 -43.57 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.92 -39.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 0.0 109.452 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.583 ' O ' HD23 ' D' ' 15' ' ' LEU . 2.0 tt -73.21 -42.12 63.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.305 -0.872 . . . . 0.0 109.745 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 29.0 t -54.85 -46.74 74.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.03 63.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.047 -1.033 . . . . 0.0 109.646 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.84 -46.16 64.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.174 -0.954 . . . . 0.0 109.084 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -67.26 -37.45 83.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.9 . . . . 0.0 109.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.65 -52.54 65.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.806 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.88 -40.26 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 109.66 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.46 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.085 -1.009 . . . . 0.0 109.51 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . 0.425 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 47.1 t-105 -69.68 -43.67 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 27.0 m -63.19 -31.9 73.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.83 -60.38 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.0 110.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.66 93.03 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.214 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.81 -50.68 55.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.47 -1.606 . . . . 0.0 109.073 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.28 -47.0 79.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.359 -0.838 . . . . 0.0 109.313 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.86 -33.76 72.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.461 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.25 -40.33 81.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.256 -0.902 . . . . 0.0 109.494 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.1 t80 . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 120.722 0.296 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.8 tp-100 -45.92 -63.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.895 -1.128 . . . . 0.0 110.072 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -45.31 -20.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.004 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 tt -75.76 -49.15 19.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.024 -1.048 . . . . 0.0 108.302 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -57.57 -36.21 71.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.0 109.224 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' SER . 20.2 mm -61.37 -56.84 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.269 -0.894 . . . . 0.0 109.23 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -43.03 -49.69 6.07 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.03 -1.669 . . . . 0.0 110.974 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -56.57 -36.7 69.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.402 -0.811 . . . . 0.0 109.463 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.41 -37.08 85.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.888 . . . . 0.0 109.658 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.57 -42.91 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -69.93 -35.54 74.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.91 . . . . 0.0 110.066 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -61.18 -48.38 81.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 109.991 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.27 40.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.008 . . . . 0.0 109.528 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.04 -43.69 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 108.961 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -64.44 -37.93 89.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.346 -0.846 . . . . 0.0 109.407 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.72 -52.93 63.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -0.853 . . . . 0.0 109.832 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.95 -44.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.768 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.14 82.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.934 . . . . 0.0 109.566 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -63.36 -43.53 97.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.194 -0.941 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.0 m -64.35 -33.02 74.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 0.0 109.963 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.95 -59.33 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.928 -1.108 . . . . 0.0 109.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.59 -35.51 91.92 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.75 -1.215 . . . . 0.0 110.279 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -71.32 -50.05 36.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.473 -1.604 . . . . 0.0 109.424 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.74 -35.97 73.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.0 109.453 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 m120 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.155 -0.966 . . . . 0.0 109.519 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 CA-C-O 121.218 0.424 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -87.14 -47.83 8.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.882 . . . . 0.0 111.138 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -46.14 -52.84 11.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.824 -1.172 . . . . 0.0 110.521 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -55.83 -20.25 8.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 CA-C-O 121.201 0.524 . . . . 0.0 109.904 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.76 -50.04 13.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.989 . . . . 0.0 109.009 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -55.29 -37.2 67.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.745 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.75 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.065 -1.022 . . . . 0.0 109.649 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -46.46 -37.84 8.32 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 119.961 -1.712 . . . . 0.0 110.977 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 27.8 p -69.42 -29.78 67.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.621 -1.3 . . . . 0.0 109.933 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -72.26 -56.57 5.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.06 -34.39 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.075 -1.016 . . . . 0.0 109.868 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -75.51 -38.44 59.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.16 -0.962 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -56.59 -49.64 74.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 110.064 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.51 37.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -50.62 -43.0 56.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -64.53 -36.09 83.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.92 -51.07 68.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.08 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 pt -76.28 -29.25 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 110.051 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 -25.4 62.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.003 . . . . 0.0 109.647 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -84.44 -48.08 10.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.926 . . . . 0.0 109.605 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 44.1 m -67.65 -34.47 77.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.171 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.87 -50.15 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.977 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.26 76.4 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.11 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 120.553 -1.557 . . . . 0.0 109.375 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 120.66 0.267 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.83 -68.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.493 -1.379 . . . . 0.0 110.677 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 tt -46.59 -22.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 121.804 -0.56 . . . . 0.0 110.149 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.71 -39.57 66.87 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.963 -1.086 . . . . 0.0 108.337 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -63.16 -40.93 98.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.463 -0.773 . . . . 0.0 109.171 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.573 HD12 ' N ' ' C' ' 10' ' ' ILE . 1.7 mp -62.75 -67.55 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 109.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -43.42 -47.02 6.9 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.152 -1.592 . . . . 0.0 110.968 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -64.12 -39.79 94.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.723 -1.235 . . . . 0.0 108.983 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -65.42 -51.58 59.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.408 -0.808 . . . . 0.0 109.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.44 -33.44 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.315 -0.866 . . . . 0.0 109.475 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 tp -76.13 -35.81 59.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 109.885 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -60.05 -51.05 71.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 109.934 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.26 52.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 0.0 109.505 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.03 -40.74 70.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -64.5 -45.19 88.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.042 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -54.3 -53.57 51.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.139 -0.976 . . . . 0.0 109.925 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.59 -52.03 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.871 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.95 -47.43 52.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.945 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -64.02 -43.75 94.66 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.577 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -59.92 -32.36 70.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.782 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.67 -64.0 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.961 -1.087 . . . . 0.0 110.219 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -38.39 68.89 Favored Glycine 0 N--CA 1.504 3.201 0 C-N-CA 119.677 -1.249 . . . . 0.0 110.074 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.9 -51.48 47.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.491 -1.593 . . . . 0.0 109.18 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.16 -35.86 80.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.207 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.5 -38.23 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 109.216 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -55.71 -48.76 74.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.591 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.9 tp . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.278 -0.889 . . . . 0.0 109.017 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.02 0.438 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -52.05 -42.68 63.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.998 -1.064 . . . . 0.0 110.204 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.2 -18.21 19.53 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.203 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.413 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.2 tt -79.37 -52.17 8.44 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.6 p -59.76 -43.49 94.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.163 -0.96 . . . . 0.0 109.551 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.1 -34.41 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.204 -0.935 . . . . 0.0 109.609 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -71.28 -33.57 69.87 Favored 'General case' 0 C--O 1.209 -1.046 0 O-C-N 120.01 -1.682 . . . . 0.0 110.941 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -71.86 -36.42 70.11 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.714 -0.795 . . . . 0.0 109.664 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.75 -53.68 43.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.838 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tp -63.65 -32.97 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.168 -0.958 . . . . 0.0 109.687 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.06 -35.01 61.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 109.956 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.9 p -62.81 -53.97 46.12 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.132 -0.98 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.98 93.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.548 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.53 -41.33 97.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.356 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.863 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -56.96 -52.32 65.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.54 -38.26 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.728 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.45 65.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 0.0 109.585 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -79.68 -45.44 18.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.588 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.4 m -66.53 -36.45 82.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.099 -1.001 . . . . 0.0 109.827 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 94.1 mt -76.36 -54.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.74 -1.225 . . . . 0.0 110.052 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' D' ' 29' ' ' ASN . . . -63.54 -28.11 71.95 Favored Glycine 0 N--CA 1.504 3.209 0 C-N-CA 119.92 -1.133 . . . . 0.0 110.279 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -87.05 -55.83 3.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.557 -1.555 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.96 -55.36 20.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.778 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' D' ' 30' ' ' GLN . 38.1 p-10 -54.43 -34.82 62.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.02 . . . . 0.0 109.623 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' D' ' 29' ' ' ASN . 38.0 tt0 -58.13 -42.1 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.987 . . . . 0.0 109.316 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 109.479 179.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 120.804 0.335 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -53.98 -28.13 35.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.74 -1.225 . . . . 0.0 109.974 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -72.57 -20.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.151 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.8 tt -79.3 -48.57 13.88 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 p -59.26 -34.11 71.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.706 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.47 -65.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.946 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -44.92 -40.7 6.55 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.012 -1.68 . . . . 0.0 110.965 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -64.17 -43.9 93.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.84 -1.163 . . . . 0.0 109.243 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -54.7 -40.15 68.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.321 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.2 -45.2 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.317 -0.865 . . . . 0.0 109.331 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.68 -35.8 81.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 109.646 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.8 m -56.31 -47.87 77.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.942 . . . . 0.0 109.986 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.49 72.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -50.7 -48.0 58.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.65 -37.73 87.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.777 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.47 -51.18 70.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.891 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.75 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.805 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.41 91.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -68.71 -43.46 75.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -65.06 -34.66 78.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.252 -0.905 . . . . 0.0 109.858 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.53 -57.22 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.9 -1.125 . . . . 0.0 110.139 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.54 83.47 Favored Glycine 0 N--CA 1.503 3.13 0 C-N-CA 119.721 -1.228 . . . . 0.0 110.152 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.61 -49.32 16.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.546 -1.561 . . . . 0.0 109.56 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.55 -38.99 93.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo . . . . . 0 N--CA 1.482 0.821 0 CA-C-O 120.921 0.3 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -101.13 -62.06 1.29 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.201 -0.937 . . . . 0.0 111.249 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.09 -26.87 29.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.672 -1.267 . . . . 0.0 110.14 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.69 -17.42 16.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 109.232 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.461 ' O ' HD23 ' B' ' 8' ' ' LEU . 4.3 tt -82.07 -50.62 8.88 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -57.69 -46.51 84.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.626 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.5 mt -62.31 -52.5 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 109.543 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.406 ' C ' ' O ' ' B' ' 10' ' ' ILE . 70.6 m -43.15 -51.57 5.91 Favored 'General case' 0 C--O 1.205 -1.24 0 O-C-N 119.998 -1.689 . . . . 0.0 110.958 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -53.9 -45.94 71.27 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.361 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -51.18 -44.25 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 0.0 109.273 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -58.58 -42.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -66.91 -42.02 86.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.835 . . . . 0.0 109.287 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.7 m -49.39 -51.18 36.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.167 -0.958 . . . . 0.0 109.818 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.04 11.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.78 -47.69 30.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 109.125 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -52.62 -42.69 64.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.57 -47.33 73.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.941 . . . . 0.0 109.687 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.78 -34.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.58 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.11 -37.62 38.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -73.11 -43.79 61.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 109.625 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.503 ' CG2' ' N ' ' B' ' 25' ' ' ILE . 2.5 t -63.27 -47.87 80.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.21 -0.931 . . . . 0.0 109.354 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG2' ' B' ' 24' ' ' THR . 96.7 mt -65.81 -58.34 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -31.93 59.67 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 120.643 -1.504 . . . . 0.0 108.855 179.406 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 75.8 t80 . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.049 0.452 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -45.97 -47.46 16.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.944 -1.098 . . . . 0.0 111.057 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.4 -20.18 24.09 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.776 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.56 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.1 tt -75.19 -50.21 16.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 108.907 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -62.36 -43.99 97.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -37.13 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.089 -1.007 . . . . 0.0 109.821 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -64.7 -39.59 93.91 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 119.971 -1.705 . . . . 0.0 110.945 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -67.92 -36.52 80.32 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.533 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.71 -49.03 76.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -60.34 -45.08 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.589 HD23 ' O ' ' C' ' 15' ' ' LEU . 3.8 tt -65.55 -48.71 71.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.166 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -43.97 -52.54 6.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.513 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.34 89.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.931 -1.106 . . . . 0.0 109.772 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 31.5 tp -52.54 -39.39 61.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 109.662 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -67.65 -58.61 4.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.215 -0.928 . . . . 0.0 110.016 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -51.53 -48.08 63.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.185 -0.947 . . . . 0.0 109.683 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.69 -63.9 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.151 -0.968 . . . . 0.0 109.657 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.31 -26.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 0.0 110.094 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -71.35 -43.2 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.18 -0.95 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -65.28 -35.97 82.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.652 HD12 ' N ' ' C' ' 25' ' ' ILE . 1.6 mp -77.65 -56.2 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.776 -1.202 . . . . 0.0 109.43 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.18 -34.17 87.03 Favored Glycine 0 N--CA 1.504 3.167 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.226 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -73.74 -51.43 16.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.506 -1.585 . . . . 0.0 109.499 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.36 -37.54 86.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -55.41 -38.2 68.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 109.703 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -49.74 76.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.135 -0.978 . . . . 0.0 109.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.637 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.0 tp . . . . . 0 N--CA 1.494 1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 109.349 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 t80 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 121.043 0.449 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.97 -29.92 63.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.077 . . . . 0.0 109.869 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -72.26 -17.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.477 HD23 ' O ' ' D' ' 8' ' ' LEU . 2.5 tt -81.47 -53.12 6.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 108.727 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.8 p -58.31 -42.71 87.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.43 -60.2 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.266 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.07 -44.22 7.35 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 119.889 -1.757 . . . . 0.0 110.991 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -64.39 -28.33 69.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -68.53 -54.92 13.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.007 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 pt -60.38 -34.35 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.558 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.521 ' O ' HD23 ' D' ' 15' ' ' LEU . 2.2 tt -74.16 -48.5 28.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.254 -0.904 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -45.8 -49.04 15.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.137 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.22 84.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.999 -1.063 . . . . 0.0 109.591 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.49 -50.48 71.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.968 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -66.89 -36.24 81.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.37 -49.69 71.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.2 mt -77.91 -45.72 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.916 . . . . 0.0 109.955 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.92 -43.31 71.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.341 -0.849 . . . . 0.0 109.439 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -63.56 -33.87 76.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.223 -0.923 . . . . 0.0 110.112 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -79.58 -58.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.882 -1.136 . . . . 0.0 109.926 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.5 90.75 Favored Glycine 0 N--CA 1.503 3.123 0 C-N-CA 119.752 -1.213 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -70.46 -47.57 60.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.525 -1.573 . . . . 0.0 109.332 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.64 -32.54 67.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.355 -0.841 . . . . 0.0 109.262 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -58.85 -39.79 82.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.225 -0.922 . . . . 0.0 109.379 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -58.75 -45.3 90.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.257 -0.902 . . . . 0.0 109.189 179.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.784 0.326 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -46.74 -51.41 16.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.779 -1.2 . . . . 0.0 110.364 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 tt -54.42 -20.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.1 tt -78.82 -46.53 18.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.292 -0.88 . . . . 0.0 108.842 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -62.18 -32.88 73.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 109.925 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.35 -64.1 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.045 -1.035 . . . . 0.0 109.79 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.68 -42.1 11.2 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.085 -1.635 . . . . 0.0 110.952 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -63.0 -38.74 92.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.924 -1.11 . . . . 0.0 109.347 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.51 -49.25 64.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.713 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 tt -71.17 -45.18 64.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.248 -0.908 . . . . 0.0 109.392 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.4 p -47.29 -45.76 24.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.085 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.06 69.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.067 -1.021 . . . . 0.0 109.762 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.0 -43.89 78.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 109.483 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.31 -36.89 80.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.935 . . . . 0.0 110.004 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -63.9 -51.46 64.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.847 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.7 tt -72.52 -34.61 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 109.879 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.21 71.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -67.39 -43.53 81.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 m -63.21 -35.11 79.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.908 . . . . 0.0 109.816 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -81.04 -58.78 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.82 -1.175 . . . . 0.0 109.824 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.69 -35.43 62.51 Favored Glycine 0 N--CA 1.503 3.127 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -78.18 -54.64 6.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.536 -1.567 . . . . 0.0 109.256 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD23 ' C ' ' A' ' 28' ' ' LEU . 7.1 tt -61.22 -52.68 63.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.218 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.486 1.077 0 CA-C-O 121.433 0.514 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -59.08 -46.8 87.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.766 . . . . 0.0 109.249 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.57 -71.36 0.22 Allowed 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.925 -1.109 . . . . 0.0 110.628 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tt -43.9 -25.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.618 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.6 -47.22 56.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.869 -1.144 . . . . 0.0 108.705 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -64.94 -35.55 81.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.1 -56.88 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.918 . . . . 0.0 109.989 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -55.4 -41.94 73.38 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 120.237 -1.539 . . . . 0.0 110.945 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 26.2 m -64.7 -35.82 82.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -69.37 -48.82 60.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.0 109.519 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 93.8 mt -56.21 -35.53 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 109.617 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.4 tt -74.34 -43.9 54.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.07 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -46.96 -48.63 21.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.202 -0.937 . . . . 0.0 109.725 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -46.23 63.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.147 -0.971 . . . . 0.0 109.29 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -49.8 -47.81 51.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.336 -0.852 . . . . 0.0 108.949 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -64.19 -36.55 84.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.259 -0.9 . . . . 0.0 109.67 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -60.76 -40.78 93.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.032 -1.042 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mm -78.23 -52.75 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 109.934 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' C' ' 23' ' ' TRP . . . -59.69 -45.35 92.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 109.876 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -62.84 -44.41 96.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.885 . . . . 0.0 109.89 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 46.3 m -65.06 -34.88 79.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.78 -55.45 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.906 -1.121 . . . . 0.0 109.962 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -35.07 91.33 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.661 -1.257 . . . . 0.0 110.219 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.49 -1.594 . . . . 0.0 109.24 179.706 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.186 0.517 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -47.5 -39.26 15.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.168 -0.957 . . . . 0.0 110.619 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.83 -21.05 27.91 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 O-C-N 121.86 -0.525 . . . . 0.0 110.196 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.515 HD23 ' O ' ' C' ' 8' ' ' LEU . 2.3 tt -79.2 -45.94 18.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.893 . . . . 0.0 108.633 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 31.2 t -60.27 -33.84 72.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.86 -66.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.996 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 97.2 p -43.8 -37.51 2.78 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.933 -1.729 . . . . 0.0 110.982 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -65.84 -40.21 91.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.488 -1.383 . . . . 0.0 109.034 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.09 -38.64 76.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -62.11 -48.79 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.133 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.55 -27.15 68.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.768 . . . . 0.0 109.912 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.5 m -67.11 -49.48 64.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.29 76.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.103 -0.998 . . . . 0.0 109.395 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.81 -39.55 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -61.87 -48.92 78.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -52.78 -55.66 21.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 109.576 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.42 -47.5 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.655 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.2 61.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.942 . . . . 0.0 109.506 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . 0.408 ' CE2' ' HB1' ' B' ' 22' ' ' ALA . 65.8 t-105 -66.48 -44.62 82.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.18 -0.95 . . . . 0.0 109.384 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -66.93 -33.07 74.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.0 109.792 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.3 mt -76.05 -57.11 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.93 -1.106 . . . . 0.0 109.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.4 -35.57 92.11 Favored Glycine 0 N--CA 1.502 3.042 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.112 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -70.0 -44.79 68.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.476 -1.602 . . . . 0.0 109.079 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.22 -36.28 83.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.023 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.912 . . . . 0.0 109.403 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -57.91 -48.92 78.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.499 ' O ' HG23 ' C' ' 31' ' ' ILE . 13.7 tt . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.303 -0.873 . . . . 0.0 109.13 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.212 0.53 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -52.64 -34.09 49.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 110.312 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.9 tt -72.79 -16.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.219 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.38 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.1 tt -80.05 -53.02 7.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -59.95 -44.44 94.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.0 109.542 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.32 -36.97 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.1 m -62.19 -38.84 90.64 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 119.939 -1.726 . . . . 0.0 110.934 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t -66.49 -33.99 76.92 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.799 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.96 -60.03 3.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 0.0 110.121 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . 0.54 HD13 ' O ' ' D' ' 14' ' ' ILE . 0.2 OUTLIER -54.85 -43.59 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.29 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.535 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.2 tt -65.5 -42.72 91.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.078 -1.014 . . . . 0.0 109.425 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -48.41 -53.81 16.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.17 80.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.105 -0.997 . . . . 0.0 109.737 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -51.24 -45.46 61.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.186 -0.946 . . . . 0.0 109.319 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -68.69 -37.89 79.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.38 -55.89 15.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.931 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.463 HG23 ' N ' ' D' ' 22' ' ' ALA . 20.5 tt -64.65 -39.38 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.162 -0.961 . . . . 0.0 109.763 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.463 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -62.92 -43.98 97.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 0.0 109.516 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -60.16 -43.69 95.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.935 . . . . 0.0 109.463 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 45.4 m -66.04 -34.38 77.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 109.87 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.11 -57.07 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.812 -1.18 . . . . 0.0 109.808 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.35 88.1 Favored Glycine 0 N--CA 1.503 3.12 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.106 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -75.49 -52.62 10.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.5 -1.588 . . . . 0.0 109.332 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.05 -41.36 96.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -0.839 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.79 -41.86 87.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.154 -0.966 . . . . 0.0 109.493 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -54.48 -45.76 73.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.0 109.313 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 pt . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.256 -0.903 . . . . 0.0 109.519 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.6 t80 . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -55.48 -40.65 71.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.788 -1.195 . . . . 0.0 109.769 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 tt -63.44 -20.75 26.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.225 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.279 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.54 -37.32 43.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 108.917 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -64.53 -48.62 74.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.0 110.021 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 pt -77.27 -24.81 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 110.267 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -78.38 -48.03 16.4 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 119.772 -1.83 . . . . 0.0 110.992 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t -67.74 -25.24 65.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.238 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -72.05 -60.93 1.98 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 tt -55.1 -35.74 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 109.159 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.2 tt -73.16 -40.21 65.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 108.862 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.8 t -48.65 -47.34 40.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.12 33.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.226 -0.921 . . . . 0.0 109.384 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -49.11 -45.3 43.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 0.0 109.292 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.8 -33.05 74.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.681 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -67.13 -51.01 59.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.41 -29.39 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.66 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.51 72.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.967 . . . . 0.0 109.4 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -77.36 -46.23 23.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -68.47 -34.65 76.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.181 -0.949 . . . . 0.0 109.866 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.39 -53.95 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.685 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.93 88.58 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -76.73 -51.95 10.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.698 -1.472 . . . . 0.0 109.031 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD23 ' C ' ' A' ' 28' ' ' LEU . 7.9 tt -63.65 -49.44 73.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.025 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.0 109.534 179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 N--CA 1.484 0.969 0 CA-C-O 121.204 0.418 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -91.71 -43.31 9.65 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 111.1 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -45.4 -64.19 0.78 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.925 -1.109 . . . . 0.0 110.387 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.49 -21.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.508 ' O ' HD23 ' B' ' 8' ' ' LEU . 2.8 tt -72.29 -53.83 11.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.877 -1.139 . . . . 0.0 108.564 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -53.12 -38.27 62.5 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.275 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.1 -57.54 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.166 -0.959 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.29 -43.29 7.29 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 120.241 -1.537 . . . . 0.0 110.963 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 10.8 t -67.18 -42.9 83.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.663 -1.273 . . . . 0.0 109.577 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.58 -48.58 78.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.34 -40.92 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.177 -0.952 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.58 -34.78 76.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -57.37 -52.18 66.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.084 -1.01 . . . . 0.0 109.555 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.61 -55.06 11.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 109.31 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.1 -40.74 24.31 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 108.95 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -60.61 -45.32 94.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.59 -52.7 50.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.764 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.52 -38.72 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.237 -0.914 . . . . 0.0 109.582 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.65 68.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 109.721 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -62.05 -44.15 97.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.129 -0.982 . . . . 0.0 109.541 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.3 m -59.86 -34.27 72.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.967 . . . . 0.0 109.859 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -85.45 -60.52 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.912 -1.118 . . . . 0.0 110.308 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -34.58 58.39 Favored Glycine 0 N--CA 1.505 3.275 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.67 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 120.396 -1.65 . . . . 0.0 109.515 -179.86 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' C' ' 5' ' ' PHE . 84.3 t80 . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.005 0.431 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -73.4 -40.9 63.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.685 -1.259 . . . . 0.0 110.788 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -71.27 -23.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 O-C-N 121.674 -0.641 . . . . 0.0 110.146 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.0 OUTLIER -76.36 -43.2 41.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.896 -1.127 . . . . 0.0 108.456 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -64.96 -43.84 91.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.488 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.3 -61.88 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 0.0 109.722 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.43 -42.54 7.08 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 120.001 -1.687 . . . . 0.0 110.967 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -62.19 -46.35 89.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.682 -1.261 . . . . 0.0 109.509 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.86 -43.76 97.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.667 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.51 -40.69 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 110.168 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.3 tt -70.25 -31.95 69.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 0.0 109.616 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -62.58 -54.21 43.08 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.856 -1.153 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.89 72.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.951 -1.093 . . . . 0.0 109.526 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.81 -33.49 75.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -72.63 -40.74 66.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.913 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.86 -57.38 10.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.715 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.466 HG23 ' N ' ' C' ' 22' ' ' ALA . 18.1 tt -56.66 -38.48 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.155 -0.965 . . . . 0.0 109.662 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.466 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -71.19 -35.95 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.477 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -68.54 -43.02 77.61 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.3 m -67.57 -33.72 75.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 110.023 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -77.92 -55.03 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.807 -1.183 . . . . 0.0 109.843 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.55 -34.36 89.7 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.05 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -72.5 -46.44 54.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.575 -1.544 . . . . 0.0 109.314 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.08 -34.35 70.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 0.0 109.215 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.9 -37.58 88.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 109.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -53.14 -38.21 62.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 122.315 1.055 . . . . 0.0 108.825 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 15.3 t80 . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.74 -34.1 69.24 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.966 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -66.68 -23.83 31.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.58 -44.12 29.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.179 -0.95 . . . . 0.0 108.565 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -53.34 -43.02 67.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.409 -0.807 . . . . 0.0 109.175 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -64.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.77 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.7 -46.37 10.29 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 120.043 -1.661 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -65.34 -35.33 80.66 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.865 -1.147 . . . . 0.0 109.045 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.77 -42.81 98.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.39 -0.819 . . . . 0.0 109.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.8 -44.52 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.356 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.5 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.8 tt -69.59 -46.41 66.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.414 -0.804 . . . . 0.0 109.359 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.2 m -46.58 -46.8 19.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.963 . . . . 0.0 109.931 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.29 65.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 0.0 109.375 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.465 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -58.93 -51.97 67.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 0.0 109.173 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -67.51 -30.56 70.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.718 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.26 -43.24 87.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.931 . . . . 0.0 109.606 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -80.04 -49.17 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.64 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 109.774 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.83 -42.97 72.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.225 -0.922 . . . . 0.0 109.657 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -65.72 -35.9 82.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.4 mt -79.86 -55.89 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.783 -1.198 . . . . 0.0 109.824 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -34.29 76.58 Favored Glycine 0 N--CA 1.503 3.125 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.45 -52.89 7.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.653 -1.499 . . . . 0.0 109.254 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.581 HD23 ' C ' ' D' ' 28' ' ' LEU . 7.2 tt -63.05 -51.57 66.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.341 -0.849 . . . . 0.0 109.242 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.99 -34.85 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.163 -0.96 . . . . 0.0 109.578 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -57.43 11.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.203 -0.935 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.457 HG23 ' O ' ' D' ' 31' ' ' ILE . 15.3 tt . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -45.31 -59.98 2.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.971 -1.08 . . . . 0.0 110.374 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -51.68 -20.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 O-C-N 121.943 -0.473 . . . . 0.0 110.154 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.6 tt -73.42 -47.39 42.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.973 -1.08 . . . . 0.0 108.162 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.45 -37.3 77.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.298 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.2 -62.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.563 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.26 -45.08 5.67 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 120.339 -1.476 . . . . 0.0 110.972 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -62.0 -37.53 85.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.627 -1.296 . . . . 0.0 109.331 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.75 -45.89 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 0.0 109.277 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.44 -32.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -77.3 -38.59 50.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.85 . . . . 0.0 109.565 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 109.995 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.48 54.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.444 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 tp -54.47 -49.88 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.154 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.87 -40.19 94.52 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.612 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.92 -52.21 66.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.128 -0.982 . . . . 0.0 109.634 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.84 -38.79 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -0.885 . . . . 0.0 109.9 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.224 -0.922 . . . . 0.0 109.699 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -74.68 -43.96 52.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -67.51 -33.82 75.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.227 -0.92 . . . . 0.0 110.107 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 95.7 mt -77.33 -54.29 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.904 -1.123 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -33.91 87.47 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.979 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -73.01 -48.29 37.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.575 -1.544 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.98 -40.3 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 21.1 m120 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.926 . . . . 0.0 109.424 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo . . . . . 0 N--CA 1.496 1.645 0 CA-C-O 121.113 0.381 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' B' ' 5' ' ' PHE . 66.1 t80 -76.52 1.93 15.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.239 -0.913 . . . . 0.0 110.132 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -74.63 -29.86 61.44 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.996 -1.065 . . . . 0.0 110.912 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.66 -26.33 16.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 121.426 -0.796 . . . . 0.0 110.125 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.7 tt -76.72 -41.37 45.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.915 -1.116 . . . . 0.0 108.105 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -60.12 -45.16 93.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 0.0 109.845 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.7 mt -64.07 -61.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.092 -1.005 . . . . 0.0 110.387 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.428 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.1 m -41.03 -46.37 2.86 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 120.009 -1.682 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -63.75 -34.45 77.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.493 -1.38 . . . . 0.0 109.579 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 10' ' ' ILE . 83.3 t80 -64.09 -57.2 10.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 pt -61.19 -36.33 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.139 -0.976 . . . . 0.0 110.109 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -70.13 -46.49 64.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.47 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -50.01 -54.0 23.03 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.943 . . . . 0.0 110.194 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.921 -1.112 . . . . 0.0 109.578 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.474 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -53.4 -48.05 69.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 108.669 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -66.55 -52.02 50.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.0 109.486 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -48.27 -44.41 33.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.013 -1.054 . . . . 0.0 109.739 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mm -77.02 -63.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.41 -26.31 0.53 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 110.343 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -81.03 -45.7 16.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.163 -0.961 . . . . 0.0 109.668 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.6 m -66.61 -41.08 88.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.105 -0.997 . . . . 0.0 110.424 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.8 mp -79.11 -43.97 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.463 -1.398 . . . . 0.0 109.544 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -23.71 70.81 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 120.679 -1.483 . . . . 0.0 110.714 -179.648 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -55.91 6.32 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 119.57 -1.956 . . . . 0.0 110.924 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.9 -23.85 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.97 -1.081 . . . . 0.0 109.774 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' C' ' 8' ' ' LEU . 0.7 OUTLIER -66.13 -42.1 89.57 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -68.54 -43.59 76.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.646 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.51 -50.4 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.0 -1.063 . . . . 0.0 110.12 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -56.98 -47.63 80.32 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 119.804 -1.81 . . . . 0.0 110.979 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -64.09 -29.34 70.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.876 -1.14 . . . . 0.0 109.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.78 -52.8 15.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.42 -32.93 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.98 -36.93 56.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.24 -0.913 . . . . 0.0 109.695 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -61.83 -50.78 70.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.032 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -42.59 74.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.065 -1.022 . . . . 0.0 109.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.88 -36.48 83.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.07 -46.96 75.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.993 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.42 -56.35 22.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.088 -1.008 . . . . 0.0 109.724 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.38 -57.5 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.958 . . . . 0.0 109.607 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.4 -33.7 2.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.224 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -74.75 -44.16 51.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.141 -0.974 . . . . 0.0 109.996 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -62.32 -35.92 80.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -82.01 -58.0 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.722 -1.236 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.64 61.09 Favored Glycine 0 N--CA 1.504 3.19 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.096 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.25 -47.43 50.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.526 -1.573 . . . . 0.0 109.105 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.63 -35.77 68.71 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.183 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.01 -34.12 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.78 -50.48 66.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.965 . . . . 0.0 109.686 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.542 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.7 tp . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.067 -1.021 . . . . 0.0 108.965 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.16 0.505 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' D' ' 8' ' ' LEU . 55.3 tp60 -51.18 -71.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -0.984 . . . . 0.0 109.981 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -41.65 -21.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.507 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' D' ' 6' ' ' GLN . 3.3 tt -75.04 -53.31 9.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.474 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -55.95 -36.47 67.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.258 -0.901 . . . . 0.0 109.259 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' D' ' 11' ' ' SER . 18.2 mm -60.63 -56.41 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.109 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.4 m -42.18 -51.16 4.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 120.04 -1.662 . . . . 0.0 110.973 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -44.36 77.32 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.59 -34.79 65.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.925 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.77 -53.5 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.522 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.551 ' N ' HD12 ' D' ' 15' ' ' LEU . 10.1 mp -62.06 -30.31 70.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 0.0 109.441 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -60.16 -46.95 87.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.0 109.825 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.37 53.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.0 109.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.28 -47.5 81.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.97 -40.64 96.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.907 . . . . 0.0 109.833 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.27 -51.72 65.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.821 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.1 -43.16 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.3 69.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 109.594 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -73.0 -43.76 61.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 0.0 109.417 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 43.3 m -64.46 -34.99 79.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.261 -0.9 . . . . 0.0 109.816 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.26 -58.95 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.791 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.42 -35.52 79.77 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -69.8 -46.62 65.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.648 -1.501 . . . . 0.0 109.123 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.43 -37.87 88.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.357 -0.839 . . . . 0.0 109.227 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.34 -37.35 74.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.928 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.78 -46.35 89.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 pt . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 109.109 179.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 . . . . . 0 N--CA 1.502 2.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -54.07 -24.51 17.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.804 -1.185 . . . . 0.0 109.753 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 tt -73.2 -23.05 19.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.302 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.31 -44.4 21.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 108.556 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -57.92 -41.96 83.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.379 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.97 -65.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 0.0 109.626 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -46.1 -45.19 16.21 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 119.986 -1.697 . . . . 0.0 110.958 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -68.75 -21.1 64.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.744 -1.222 . . . . 0.0 109.688 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.6 -58.43 3.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.208 -0.933 . . . . 0.0 109.877 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.75 -36.48 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.997 -1.065 . . . . 0.0 109.542 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.17 -35.52 66.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.054 . . . . 0.0 109.406 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -55.92 -49.14 74.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 0.0 109.575 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.26 91.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.162 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -51.49 -50.3 60.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.368 -0.832 . . . . 0.0 109.144 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -66.28 -30.95 71.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 109.798 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.57 -48.06 81.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.95 . . . . 0.0 109.939 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -75.49 -29.92 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.069 -1.019 . . . . 0.0 109.636 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.46 78.36 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -75.97 -48.31 21.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.287 -0.883 . . . . 0.0 109.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -65.37 -34.49 78.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.119 -0.988 . . . . 0.0 110.327 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.54 -53.33 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.794 -1.191 . . . . 0.0 109.93 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.68 -33.51 84.61 Favored Glycine 0 N--CA 1.503 3.138 0 C-N-CA 119.647 -1.263 . . . . 0.0 109.985 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -72.21 -45.24 61.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.551 -1.558 . . . . 0.0 109.1 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.03 -36.21 74.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.196 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.3 m120 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 N--CA 1.484 0.958 0 CA-C-O 121.261 0.442 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -76.28 -47.03 25.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.194 -0.942 . . . . 0.0 110.882 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 8' ' ' LEU . 1.6 tp-100 -47.02 -66.76 0.36 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.875 -1.14 . . . . 0.0 110.005 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -45.01 -21.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.425 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.6 tt -75.06 -50.16 17.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.85 -1.156 . . . . 0.0 108.499 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -57.64 -35.05 69.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.861 . . . . 0.0 109.319 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.91 -54.53 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -44.83 -48.16 11.03 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 120.041 -1.662 . . . . 0.0 110.978 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -57.92 -45.23 86.84 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.607 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -63.55 -48.45 77.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.687 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.41 -43.52 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.744 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -67.33 -34.73 77.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 109.653 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -59.29 -56.93 15.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -0.944 . . . . 0.0 109.914 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.62 68.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.598 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.431 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -61.53 -56.52 19.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.92 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' B' ' 20' ' ' PHE . 4.1 p80 -65.4 -29.12 69.79 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.015 -1.053 . . . . 0.0 109.85 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.607 ' N ' ' ND1' ' B' ' 19' ' ' HIS . 83.9 t80 -58.51 -45.76 88.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.963 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.75 -37.54 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.69 67.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -81.98 -55.14 4.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.0 m -62.9 -34.56 77.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.024 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.75 -54.3 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.899 -1.125 . . . . 0.0 109.73 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -30.18 76.71 Favored Glycine 0 N--CA 1.502 3.045 0 C-N-CA 119.733 -1.222 . . . . 0.0 110.059 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 120.534 -1.568 . . . . 0.0 109.407 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 30.4 t80 . . . . . 0 N--CA 1.503 2.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -47.63 -54.68 11.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.724 -1.235 . . . . 0.0 110.094 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.47 ' O ' ' OG ' ' C' ' 11' ' ' SER . 20.4 tt -51.74 -18.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.845 -0.535 . . . . 0.0 109.825 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.436 ' C ' HD23 ' C' ' 8' ' ' LEU . 5.6 tt -80.82 -51.81 8.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.155 -0.966 . . . . 0.0 108.75 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -59.59 -48.58 81.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.218 -0.926 . . . . 0.0 109.711 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.589 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.5 mp -66.3 -56.21 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.166 -0.959 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' C' ' 7' ' ' ILE . 75.1 m -41.06 -52.31 3.22 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 119.961 -1.712 . . . . 0.0 110.964 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -57.77 -40.64 80.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.63 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' C' ' 13' ' ' PHE . 33.3 t80 -65.42 -50.02 67.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.321 -0.862 . . . . 0.0 109.855 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.98 -38.14 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.241 -0.912 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.543 ' O ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -72.49 -41.02 66.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.192 -0.943 . . . . 0.0 109.453 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 97.9 p -51.82 -49.47 62.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.105 -0.997 . . . . 0.0 110.003 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.64 84.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.166 -0.959 . . . . 0.0 109.776 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 19.3 tp -55.86 -50.02 71.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.66 -45.91 87.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.18 -0.95 . . . . 0.0 109.686 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -48.6 -53.33 18.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.925 . . . . 0.0 109.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.53 -59.86 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.138 -0.976 . . . . 0.0 109.496 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -77.36 -45.58 25.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -0.953 . . . . 0.0 109.764 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -59.29 -36.61 75.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.926 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.645 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -83.33 -60.03 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.729 -1.232 . . . . 0.0 109.41 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.11 -34.94 32.63 Favored Glycine 0 N--CA 1.504 3.18 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.136 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -81.65 -58.61 2.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.547 -1.56 . . . . 0.0 109.318 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.538 HD23 ' C ' ' C' ' 28' ' ' LEU . 6.9 tt -56.86 -51.57 68.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' C' ' 29' ' ' ASN . 47.6 t-20 -52.46 -33.81 46.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -63.57 -55.76 21.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 109.612 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 31' ' ' ILE . 14.6 tt . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.061 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -46.65 -74.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.372 1.082 . . . . 0.0 110.61 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -58.63 -19.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.608 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.542 HD13 ' O ' ' D' ' 8' ' ' LEU . 0.3 OUTLIER -71.26 -45.44 63.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -65.83 -47.96 73.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.736 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mt -63.74 -46.1 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.053 -1.03 . . . . 0.0 109.541 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -49.87 -49.69 48.47 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 119.925 -1.734 . . . . 0.0 111.003 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -60.79 -31.33 70.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 109.62 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -73.11 -53.58 10.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.501 -0.75 . . . . 0.0 109.957 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.92 -41.16 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.0 109.427 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.8 tt -69.24 -46.14 68.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.128 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -45.42 -48.45 13.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.164 -0.96 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.84 74.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -51.14 -43.08 61.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -68.16 -30.92 70.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.9 -50.09 72.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.915 . . . . 0.0 109.808 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 16.5 pt -73.33 -31.52 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.162 -0.961 . . . . 0.0 109.749 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.83 74.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 0.0 109.667 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -77.89 -46.72 20.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -68.73 -32.74 72.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.111 -0.993 . . . . 0.0 110.162 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.69 -51.84 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.873 -1.142 . . . . 0.0 109.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.12 -32.47 76.62 Favored Glycine 0 N--CA 1.503 3.116 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.222 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.42 -48.69 18.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.52 -1.576 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.22 -39.83 73.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.523 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.82 -39.71 74.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -58.95 -44.37 91.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.0 109.264 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.26 -0.9 . . . . 0.0 109.324 179.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.038 0.447 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -46.3 -48.6 18.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.98 -1.075 . . . . 0.0 110.627 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.81 -21.08 25.0 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 0 O-C-N 121.903 -0.498 . . . . 0.0 110.097 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.71 -38.43 58.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.012 -1.055 . . . . 0.0 108.863 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -66.39 -46.27 77.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.855 . . . . 0.0 109.423 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.4 mp -72.79 -20.9 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.0 109.077 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -81.08 -49.56 10.72 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.889 -1.757 . . . . 0.0 110.945 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -64.99 -26.99 68.53 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.063 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.68 -61.38 1.83 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 0.0 109.778 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -57.11 -31.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.86 -33.43 62.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 109.567 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m -61.98 -53.34 56.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.887 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.58 70.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.39 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.23 -41.08 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 109.083 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -71.96 -36.35 69.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -67.87 -54.53 18.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.188 -0.945 . . . . 0.0 109.673 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 22' ' ' ALA . 9.8 tp -63.67 -36.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.186 -0.946 . . . . 0.0 109.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -66.07 -34.41 78.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.865 . . . . 0.0 109.624 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -71.58 -44.34 64.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.349 -0.844 . . . . 0.0 109.562 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -61.77 -32.9 73.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.185 -0.947 . . . . 0.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 82.8 mt -85.41 -61.02 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.964 -1.085 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . -51.95 -35.85 41.22 Favored Glycine 0 N--CA 1.504 3.229 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.299 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.62 -48.8 13.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.413 -1.639 . . . . 0.0 109.661 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD23 ' C ' ' A' ' 28' ' ' LEU . 7.1 tt -68.44 -53.48 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 109.946 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 26' ' ' GLY . 39.4 p-10 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.962 -1.086 . . . . 0.0 109.878 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 N--CA 1.485 1.029 0 CA-C-O 121.247 0.436 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -86.06 -44.17 12.51 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 110.857 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -45.92 -63.95 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.937 -1.102 . . . . 0.0 110.036 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.3 -21.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.832 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.527 ' O ' HD23 ' B' ' 8' ' ' LEU . 1.7 tt -74.33 -50.15 19.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.025 -1.047 . . . . 0.0 108.431 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -56.11 -33.48 65.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.317 -0.864 . . . . 0.0 109.302 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.69 -58.85 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.0 109.551 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.55 -40.17 3.83 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.292 -1.505 . . . . 0.0 110.953 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -63.22 -44.16 96.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.657 -1.277 . . . . 0.0 109.382 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.59 -47.57 69.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.36 -0.837 . . . . 0.0 109.582 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.5 -40.83 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.928 . . . . 0.0 109.514 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -72.54 -45.13 60.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.278 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -48.29 -49.06 35.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.968 . . . . 0.0 109.86 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.82 -49.88 54.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.474 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -50.33 -51.13 48.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.246 -0.909 . . . . 0.0 109.174 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.72 -34.94 79.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.742 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.5 -44.29 96.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.481 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.06 -44.86 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 109.662 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.98 81.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.799 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -62.63 -44.08 97.2 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.205 -0.935 . . . . 0.0 109.586 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -62.19 -33.88 75.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.17 -58.29 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.954 -1.091 . . . . 0.0 110.197 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.22 70.82 Favored Glycine 0 N--CA 1.504 3.182 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.638 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 t60 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 120.317 -1.696 . . . . 0.0 109.375 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.724 0.297 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -44.62 -55.31 5.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.005 -1.06 . . . . 0.0 110.753 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.54 -19.19 10.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.162 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.505 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -77.26 -52.21 9.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.041 -1.037 . . . . 0.0 108.97 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -60.79 -40.96 94.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.971 . . . . 0.0 109.697 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.52 -36.71 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.122 -0.986 . . . . 0.0 109.663 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -63.87 -41.81 97.66 Favored 'General case' 0 C--O 1.207 -1.179 0 O-C-N 119.918 -1.739 . . . . 0.0 110.968 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 -28.45 68.29 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.625 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -66.94 -59.03 3.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 0.0 110.023 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 14.2 tt -56.23 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.105 -0.997 . . . . 0.0 109.725 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.556 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.6 tt -73.3 -42.47 62.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.345 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 61.6 m -50.91 -50.86 56.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.0 109.981 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.4 97.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.062 -1.024 . . . . 0.0 109.555 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.5 -39.62 70.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -65.03 -40.74 95.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.685 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.72 -54.65 42.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 109.869 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.403 HD13 HG21 ' C' ' 21' ' ' ILE . 12.8 mt -67.02 -47.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.696 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.79 65.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 0.0 109.414 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -63.45 -45.79 89.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.334 -0.854 . . . . 0.0 109.499 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -67.26 -32.93 74.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.946 . . . . 0.0 109.91 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -75.51 -56.27 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 109.885 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.6 91.02 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 119.575 -1.298 . . . . 0.0 109.895 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.77 -36.81 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.507 -1.584 . . . . 0.0 109.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.56 -32.03 42.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -60.94 -38.92 87.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.031 -1.043 . . . . 0.0 110.521 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.47 -40.97 93.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.979 -1.076 . . . . 0.0 110.177 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.604 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.8 tp . . . . . 0 N--CA 1.497 1.88 0 O-C-N 120.927 -1.108 . . . . 0.0 109.0 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 121.244 0.545 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -47.41 -47.49 26.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.959 -1.088 . . . . 0.0 110.641 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 tp -68.13 -19.69 24.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-O 121.337 0.589 . . . . 0.0 109.783 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.86 -43.62 62.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.155 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -67.11 -50.25 62.12 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.56 -34.16 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.116 -0.99 . . . . 0.0 109.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -72.24 -43.27 64.62 Favored 'General case' 0 C--O 1.202 -1.417 0 O-C-N 119.815 -1.803 . . . . 0.0 110.993 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -60.62 -30.8 70.07 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.539 -0.865 . . . . 0.0 108.796 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -68.41 -46.05 70.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.463 -0.773 . . . . 0.0 109.131 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 mm -59.4 -45.02 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.506 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -66.62 -35.93 81.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.904 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -58.31 -51.49 69.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.0 110.232 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.95 -27.72 66.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.972 -1.08 . . . . 0.0 109.964 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -63.4 -52.74 60.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.697 -179.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -63.38 -43.62 97.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 110.131 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -56.09 -47.64 77.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 110.184 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mm -69.97 -43.17 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 0.0 109.796 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.86 99.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.123 -0.986 . . . . 0.0 109.899 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -62.99 -43.87 97.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.178 -0.951 . . . . 0.0 109.678 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.8 m -61.87 -34.04 75.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.944 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.33 -60.15 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -37.32 73.55 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.17 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.23 -50.12 43.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.466 -1.608 . . . . 0.0 109.249 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.76 -36.8 85.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 0.0 109.227 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -56.9 -41.6 78.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.927 . . . . 0.0 109.495 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.91 -48.11 82.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.248 -0.907 . . . . 0.0 109.014 179.624 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 6' ' ' GLN . 37.0 t80 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.475 0.179 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 8' ' ' LEU . 65.8 tt0 -46.25 -65.82 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 110.09 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.47 -20.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.047 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.0 tt -74.61 -51.37 14.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.956 -1.09 . . . . 0.0 108.39 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -58.76 -37.9 77.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.261 -0.9 . . . . 0.0 109.387 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.89 -57.77 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.256 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -43.29 -51.24 6.37 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 120.001 -1.687 . . . . 0.0 111.011 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -58.67 -38.53 78.38 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.312 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.29 -41.92 94.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.35 -50.35 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 109.304 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.5 tt -63.83 -40.16 95.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -48.25 -51.18 26.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.11 -0.993 . . . . 0.0 109.683 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.93 65.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.21 -0.931 . . . . 0.0 109.618 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.502 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.45 -43.05 79.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.132 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -67.68 -36.51 80.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.713 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.38 -49.08 78.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 22' ' ' ALA . 15.3 tt -77.66 -37.74 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.048 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -68.02 -44.48 76.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.122 -0.986 . . . . 0.0 109.928 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -64.87 -43.67 92.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.197 -0.94 . . . . 0.0 109.788 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -64.65 -35.75 82.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.87 -57.02 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.796 -1.19 . . . . 0.0 109.855 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -33.98 82.58 Favored Glycine 0 N--CA 1.503 3.112 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -77.79 -51.09 11.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.582 -1.54 . . . . 0.0 109.426 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.67 -42.57 95.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.286 -0.884 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.969 . . . . 0.0 109.49 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 CA--C 1.539 0.725 0 N-CA-C 112.739 0.246 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -108.26 -68.48 0.9 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.267 -0.896 . . . . 0.0 111.415 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -45.88 -63.81 0.89 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.831 -1.168 . . . . 0.0 110.62 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -46.88 -22.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 121.172 0.51 . . . . 0.0 109.775 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.12 -48.06 25.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.035 -1.04 . . . . 0.0 108.503 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -56.06 -31.85 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 108.97 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 26.0 mm -66.05 -54.54 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -44.37 -48.96 9.8 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.353 -1.467 . . . . 0.0 110.936 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.0 t -62.05 -41.27 97.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.585 -1.322 . . . . 0.0 109.511 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.31 -49.29 77.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.353 -0.842 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.86 -38.12 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.868 . . . . 0.0 109.596 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.25 -45.45 63.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -47.14 -50.82 19.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.193 -0.942 . . . . 0.0 109.8 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.52 76.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.389 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -52.51 -46.94 66.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 0.0 109.013 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -68.27 -36.31 79.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.99 -55.19 27.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.735 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.37 -35.49 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.58 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.19 71.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -65.34 -46.23 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -66.85 -34.45 77.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.021 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -76.44 -54.1 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.863 -1.148 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -33.92 87.32 Favored Glycine 0 N--CA 1.502 3.078 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 120.548 -1.56 . . . . 0.0 109.076 179.637 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.216 -0.666 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' C' ' 7' ' ' ILE . 9.9 pt20 -56.2 -42.29 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.488 ' N ' ' CG ' ' C' ' 6' ' ' GLN . 8.1 tp -58.79 -22.1 20.41 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.063 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.0 -41.0 26.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.205 -0.934 . . . . 0.0 109.064 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -59.24 -51.42 70.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.575 HD12 ' N ' ' C' ' 10' ' ' ILE . 2.3 mp -69.47 -58.72 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.057 -1.027 . . . . 0.0 109.286 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.6 m -45.41 -49.87 12.89 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 119.914 -1.741 . . . . 0.0 110.971 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -58.91 -37.2 76.1 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.423 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -61.82 -45.48 93.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 109.551 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.04 -45.01 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 109.58 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.17 -36.04 78.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -56.5 -54.61 43.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.049 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -57.8 5.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.054 -1.029 . . . . 0.0 109.702 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.35 -33.71 6.11 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 109.519 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -69.69 -40.67 76.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.709 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -72.08 -51.2 22.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.833 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.2 mm -55.63 -47.91 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.09 74.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.643 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -71.48 -43.5 66.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.825 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 61.4 m -66.8 -32.97 74.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.251 -0.906 . . . . 0.0 110.132 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 85.9 mt -81.45 -55.19 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.888 -1.132 . . . . 0.0 110.023 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.81 92.0 Favored Glycine 0 N--CA 1.503 3.1 0 C-N-CA 119.597 -1.287 . . . . 0.0 109.964 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.08 -44.23 63.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.523 -1.575 . . . . 0.0 109.29 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.45 -35.78 78.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.46 -35.77 70.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.718 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.66 -51.81 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.947 . . . . 0.0 109.596 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.432 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.1 tt . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.0 109.09 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 23.5 t80 . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -46.2 -52.09 13.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.857 -1.152 . . . . 0.0 110.429 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.12 -18.56 5.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.357 0.599 . . . . 0.0 109.496 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.0 tt -78.5 -53.16 7.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.91 . . . . 0.0 108.786 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.0 p -56.86 -45.13 82.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 0.0 109.679 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' D' ' 11' ' ' SER . 96.2 mt -62.58 -51.5 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.162 -0.962 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.407 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.2 m -42.27 -52.71 4.38 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 120.061 -1.65 . . . . 0.0 110.961 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -59.86 -42.34 93.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.54 -36.38 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.331 -0.855 . . . . 0.0 109.556 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.61 -44.63 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.27 -29.65 62.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.194 -0.941 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 65.5 p -64.36 -43.64 93.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.61 -51.13 11.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.394 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -53.54 -37.95 63.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -69.73 -42.56 73.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -63.02 -57.0 12.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.123 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -59.85 -34.15 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.145 -0.972 . . . . 0.0 110.026 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.18 -22.4 52.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.886 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -80.79 -46.48 15.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.1 -1.0 . . . . 0.0 109.502 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' D' ' 25' ' ' ILE . 3.5 t -63.18 -47.64 81.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.925 . . . . 0.0 109.363 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG2' ' D' ' 24' ' ' THR . 96.7 mt -63.15 -57.62 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.842 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -27.17 67.47 Favored Glycine 0 N--CA 1.501 3.032 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -81.06 -55.88 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.764 -1.433 . . . . 0.0 109.316 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.51 -43.28 55.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.363 -0.835 . . . . 0.0 109.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -55.82 -34.92 65.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.932 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.52 -45.19 94.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.293 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.195 -0.94 . . . . 0.0 109.456 179.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 t80 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 120.855 0.36 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -53.9 -26.0 22.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.68 -1.262 . . . . 0.0 110.06 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 tt -72.2 -20.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -79.31 -47.05 16.52 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -57.18 -37.98 72.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -0.808 . . . . 0.0 109.718 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.08 -67.24 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 109.989 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.79 -43.78 8.87 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 120.086 -1.634 . . . . 0.0 110.967 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -61.36 -43.89 98.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.813 -1.18 . . . . 0.0 109.22 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.06 -50.13 74.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.45 -34.73 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 tt -74.01 -43.94 56.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 0.0 109.42 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -50.23 -51.63 42.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.02 . . . . 0.0 109.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -42.03 94.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.02 -1.05 . . . . 0.0 109.578 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.2 tp -50.92 -45.03 60.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.24 -38.11 89.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.494 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.58 -52.76 64.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -70.93 -44.78 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.231 -0.918 . . . . 0.0 109.567 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.75 70.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.7 -43.36 66.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.288 -0.882 . . . . 0.0 109.547 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.4 m -66.17 -35.15 79.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 110.056 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.84 -55.52 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.881 -1.137 . . . . 0.0 109.747 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.28 83.96 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -75.2 -49.64 18.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.588 -1.536 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.23 -41.56 94.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -0.87 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.152 -0.968 . . . . 0.0 109.525 -179.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo . . . . . 0 N--CA 1.485 0.983 0 N-CA-C 113.252 0.443 . . . . 0.0 113.252 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -74.91 -34.74 62.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.473 -0.767 . . . . 0.0 112.318 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -54.36 -72.45 0.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.147 -1.596 . . . . 0.0 109.988 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -48.68 -20.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-O 121.225 0.536 . . . . 0.0 110.074 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.468 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.3 OUTLIER -73.73 -55.9 5.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.955 . . . . 0.0 109.46 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -57.1 -54.69 43.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 109.798 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.597 HD12 ' N ' ' B' ' 10' ' ' ILE . 1.7 mp -54.15 -36.76 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 108.772 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -57.69 -43.14 84.88 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 120.039 -1.663 . . . . 0.0 110.928 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -61.27 -38.27 86.13 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.352 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -62.01 -49.12 77.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.574 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.1 mt -53.08 -50.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 109.373 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.72 -37.26 81.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.225 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.5 t -51.05 -42.22 60.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.0 65.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.207 -0.933 . . . . 0.0 109.32 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.497 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -58.95 -46.86 86.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.966 . . . . 0.0 108.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -60.42 -42.67 96.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -69.61 -49.8 50.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.925 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.62 -41.27 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.181 -0.95 . . . . 0.0 109.58 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.35 76.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -68.25 -44.86 74.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.633 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -64.63 -33.59 76.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.989 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -80.68 -57.12 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.137 . . . . 0.0 110.118 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.33 -34.47 88.32 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.388 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.627 . . . . 0.0 110.334 -179.564 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 69.5 t80 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 120.764 0.316 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -46.13 -50.32 15.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.859 -1.151 . . . . 0.0 110.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -55.93 -23.02 14.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.66 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.507 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -74.5 -44.92 49.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 108.732 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -59.5 -35.52 74.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.3 -0.875 . . . . 0.0 109.725 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.14 -55.35 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -0.975 . . . . 0.0 109.523 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -46.15 -45.93 16.94 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.048 -1.658 . . . . 0.0 110.959 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.64 -33.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.685 -1.26 . . . . 0.0 109.405 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.58 -40.06 84.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.438 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.82 -49.14 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.28 -24.82 67.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.12 -0.987 . . . . 0.0 109.087 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 10.1 p -65.18 -50.78 64.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 109.577 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.46 68.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.68 -39.78 89.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -64.51 -45.57 86.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -56.05 -49.98 72.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 0.0 110.016 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.68 -53.01 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.016 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.18 67.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.232 -0.918 . . . . 0.0 110.142 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -62.77 -44.4 96.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.793 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -65.29 -33.04 75.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.856 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 93.2 mt -76.04 -59.17 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.978 -1.076 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -35.61 92.32 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.101 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.25 -49.61 41.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.505 -1.586 . . . . 0.0 109.382 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.37 -35.81 80.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -60.41 -37.98 82.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.641 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -59.09 -45.91 89.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.59 ' O ' HG23 ' C' ' 31' ' ' ILE . 10.8 tp . . . . . 0 N--CA 1.497 1.877 0 O-C-N 121.224 -0.922 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 N--CA 1.503 2.223 0 CA-C-O 121.18 0.514 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.94 -28.35 9.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.044 -1.035 . . . . 0.0 110.206 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 17.5 tt -72.86 -20.95 19.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.239 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.416 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.9 tt -79.63 -48.58 13.51 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -56.3 -38.87 71.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' D' ' 11' ' ' SER . 93.3 mt -65.81 -64.5 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.665 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' D' ' 10' ' ' ILE . 97.5 p -44.41 -36.97 3.12 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.119 -1.613 . . . . 0.0 110.986 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -62.67 -41.99 99.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.068 -1.02 . . . . 0.0 109.075 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -59.23 -38.23 79.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.0 109.081 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -63.1 -37.86 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.231 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.702 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 -58.88 5.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.202 -0.936 . . . . 0.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.92 94.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.086 -1.009 . . . . 0.0 109.716 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.68 -44.51 96.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 0.0 109.383 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -67.09 -37.23 83.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.873 . . . . 0.0 109.709 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -59.35 -52.22 66.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 109.934 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.2 -43.86 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.0 109.883 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.3 93.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.158 -0.964 . . . . 0.0 109.941 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -66.87 -44.99 79.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.935 . . . . 0.0 109.892 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 51.5 m -60.79 -34.08 73.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 0.0 110.223 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.408 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.5 mt -78.37 -60.72 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.842 -1.161 . . . . 0.0 110.114 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.71 -36.22 91.27 Favored Glycine 0 N--CA 1.503 3.124 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.038 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.99 -49.43 57.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.528 -1.572 . . . . 0.0 109.143 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.34 -37.42 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.0 109.082 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.4 m120 -58.51 -37.78 76.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.2 -46.04 92.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.189 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 120.805 0.335 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -46.11 -51.0 14.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.85 -1.156 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -59.46 -17.05 11.74 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.149 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.8 tt -82.1 -55.05 4.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.079 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 p -56.3 -42.74 78.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 0.0 109.45 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' SER . 96.2 mt -62.74 -54.08 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 0.0 109.285 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -42.05 -51.03 4.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 120.118 -1.614 . . . . 0.0 110.925 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -57.53 -40.81 79.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -0.858 . . . . 0.0 109.487 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.56 -39.73 73.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.0 109.69 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.03 -47.27 91.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 0.0 109.645 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.8 tt -68.78 -42.66 77.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.264 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m -47.97 -46.94 33.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.122 -0.986 . . . . 0.0 109.761 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -48.88 68.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.279 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -48.59 -55.3 11.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 109.17 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -57.87 -39.04 76.87 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -57.58 -45.48 85.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.172 -0.955 . . . . 0.0 109.569 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.95 -47.58 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.973 . . . . 0.0 109.618 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.96 74.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.0 109.747 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -69.36 -44.94 70.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.219 -0.925 . . . . 0.0 109.476 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.95 -33.16 74.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.962 . . . . 0.0 109.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -76.22 -61.25 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.983 -1.073 . . . . 0.0 110.034 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.0 90.71 Favored Glycine 0 N--CA 1.503 3.149 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.238 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.93 -47.83 49.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.486 -1.597 . . . . 0.0 109.269 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.84 -38.62 91.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.322 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.192 -0.943 . . . . 0.0 109.622 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 N--CA 1.482 0.797 0 N-CA-C 113.058 0.369 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -104.26 -61.46 1.44 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.106 -0.996 . . . . 0.0 111.014 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.87 -29.67 42.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.716 -1.24 . . . . 0.0 110.059 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 tt -70.15 -21.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.055 0 O-C-N 121.575 -0.703 . . . . 0.0 109.272 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 8' ' ' LEU . 4.2 tt -79.85 -47.8 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.6 p -57.31 -35.9 70.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.634 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.22 -63.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.127 -0.983 . . . . 0.0 109.71 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.79 -39.19 5.06 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 119.986 -1.696 . . . . 0.0 110.969 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -67.66 -42.15 82.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.145 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.16 -49.34 77.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.217 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.21 -35.46 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.264 -0.898 . . . . 0.0 109.34 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.61 -43.14 66.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.0 108.977 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -49.14 -52.89 23.52 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.169 -0.957 . . . . 0.0 109.809 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.23 88.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.472 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.98 -47.32 44.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.969 . . . . 0.0 109.004 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -59.75 -42.18 92.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.251 -0.906 . . . . 0.0 109.72 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -59.85 -46.06 90.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.596 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mm -69.83 -49.41 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 109.447 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.88 49.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.898 . . . . 0.0 109.757 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -76.21 -49.3 17.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.185 -0.947 . . . . 0.0 109.52 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.9 m -64.62 -31.62 72.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.55 -58.89 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.53 77.82 Favored Glycine 0 N--CA 1.503 3.162 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.176 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 120.473 -1.604 . . . . 0.0 109.153 179.779 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.879 0.371 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -65.94 -39.21 90.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.542 -1.349 . . . . 0.0 110.019 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 tp -60.05 -20.3 19.56 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.67 -43.4 18.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -57.18 -37.09 71.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 109.177 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.05 -64.21 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -47.66 -49.6 27.05 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.134 -1.604 . . . . 0.0 110.998 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.2 t -61.53 -43.66 98.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 109.687 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -51.93 -51.21 58.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.133 -0.979 . . . . 0.0 109.496 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.65 -37.33 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.88 -41.13 75.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.155 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -52.36 -56.99 11.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.269 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.59 98.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.913 -1.117 . . . . 0.0 109.815 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.42 -39.41 60.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.205 -0.934 . . . . 0.0 109.346 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -69.93 -48.36 58.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.284 -0.885 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -63.01 -52.32 63.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.0 110.048 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.555 HD13 ' O ' ' C' ' 21' ' ' ILE . 0.2 OUTLIER -60.32 -44.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.982 -1.074 . . . . 0.0 108.912 -179.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' C' ' 21' ' ' ILE . . . -63.97 -35.28 80.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -63.43 -43.93 96.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.499 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 85.5 m -65.09 -31.83 73.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.7 -59.72 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.72 -35.55 92.06 Favored Glycine 0 N--CA 1.502 3.065 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.484 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.349 -1.677 . . . . 0.0 109.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.77 -36.4 78.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.312 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -57.91 -37.01 73.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.0 109.683 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.16 -41.88 68.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.226 -0.921 . . . . 0.0 109.471 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 122.18 0.991 . . . . 0.0 109.097 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.165 0.507 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -49.57 -42.36 44.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 109.911 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.38 -20.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.3 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.501 HD23 ' O ' ' D' ' 8' ' ' LEU . 5.0 tt -74.84 -51.85 12.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.929 . . . . 0.0 108.653 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 27.7 p -57.77 -37.57 73.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.338 -0.851 . . . . 0.0 110.163 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.14 -62.5 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.005 -1.059 . . . . 0.0 109.8 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -42.88 -47.06 5.54 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 119.931 -1.73 . . . . 0.0 110.962 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 21.3 p -61.41 -37.59 84.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.655 -1.278 . . . . 0.0 109.682 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.67 -42.46 92.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.587 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.44 -40.94 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 109.248 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.553 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.6 tt -69.31 -44.66 71.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -48.62 -49.75 35.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.869 . . . . 0.0 110.061 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.92 81.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.095 -1.003 . . . . 0.0 109.738 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.89 -48.44 79.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.298 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.59 -36.83 85.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.24 -48.47 80.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.593 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -45.11 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 109.667 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.04 83.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.615 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.34 -43.46 90.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -60.69 -33.98 73.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.84 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.6 mt -78.89 -62.34 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 110.053 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.86 82.31 Favored Glycine 0 N--CA 1.503 3.126 0 C-N-CA 119.71 -1.233 . . . . 0.0 110.277 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -71.01 -52.47 19.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.47 -1.606 . . . . 0.0 109.322 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.21 -37.9 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.223 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 22.4 m120 -62.25 -38.75 90.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -57.66 -42.71 84.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 109.156 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 179.76 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 120.706 0.289 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.473 ' OE1' ' CG1' ' A' ' 10' ' ' ILE . 1.4 tm0? -45.99 -64.02 0.84 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 110.499 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -51.08 -21.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.9 tt -72.12 -52.82 14.91 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.78 -1.2 . . . . 0.0 108.535 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -53.1 -37.81 62.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 109.115 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CG1' ' OE1' ' A' ' 6' ' ' GLN . 33.0 mm -58.22 -53.95 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.0 109.255 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.59 -47.0 10.31 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 120.377 -1.452 . . . . 0.0 110.999 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -61.13 -42.06 97.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.748 -1.22 . . . . 0.0 109.24 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.68 -50.53 70.79 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.376 -0.828 . . . . 0.0 109.454 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.97 -38.71 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.333 -0.854 . . . . 0.0 109.648 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 15' ' ' LEU . 2.1 tt -71.47 -48.6 48.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -45.91 -46.24 15.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.75 70.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 109.45 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -54.19 -48.57 70.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.88 -33.41 74.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.351 -0.843 . . . . 0.0 109.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.02 -51.68 68.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.205 -0.934 . . . . 0.0 109.694 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -75.66 -44.96 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.761 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.78 85.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -64.79 -43.49 93.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.906 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.8 m -65.3 -34.21 77.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.843 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -79.8 -57.8 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.938 -1.101 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.73 -34.3 86.13 Favored Glycine 0 N--CA 1.503 3.134 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.246 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -76.57 -49.65 15.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.537 -1.566 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.6 -41.46 96.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.488 1.182 0 N-CA-C 114.009 0.734 . . . . 0.0 114.009 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -105.77 -46.21 4.2 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.237 -0.914 . . . . 0.0 111.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -56.3 -22.26 29.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.863 -1.148 . . . . 0.0 110.135 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 tt -73.59 -20.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.327 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.68 -47.45 9.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.86 . . . . 0.0 108.794 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -54.8 -50.16 69.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.966 . . . . 0.0 109.287 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' B' ' 11' ' ' SER . 94.2 mt -68.18 -58.44 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.938 . . . . 0.0 109.55 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.2 m -40.63 -50.27 3.02 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 120.053 -1.654 . . . . 0.0 110.956 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -58.01 -41.06 82.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.197 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -54.25 -43.6 71.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -61.14 -44.79 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.469 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.8 -37.07 83.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.0 109.459 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.1 t -55.29 -56.16 23.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.0 109.714 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.35 64.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.101 -1.0 . . . . 0.0 109.498 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.485 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.38 -46.13 25.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 109.156 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -63.94 -48.76 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -53.84 -49.93 67.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 23' ' ' TRP . 30.6 mm -68.46 -62.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.8 -21.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.42 -0.8 . . . . 0.0 110.438 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.466 ' N ' ' O ' ' B' ' 21' ' ' ILE . 40.4 t-105 -84.09 -48.03 10.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.043 -1.035 . . . . 0.0 109.779 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 59.6 m -65.72 -35.33 80.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.593 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.633 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.5 mp -80.41 -49.66 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.71 -1.244 . . . . 0.0 109.805 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.97 -29.66 74.93 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.791 -1.195 . . . . 0.0 110.455 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 120.443 -1.622 . . . . 0.0 109.302 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 68.7 t80 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 120.935 0.398 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -48.28 -31.31 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.642 -1.287 . . . . 0.0 110.673 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -69.02 -25.05 29.04 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.026 0 O-C-N 121.314 -0.866 . . . . 0.0 109.306 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -75.06 -38.99 61.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -57.7 -44.52 85.92 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.563 -0.711 . . . . 0.0 109.616 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' C' ' 11' ' ' SER . 77.3 mt -63.71 -56.24 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.178 -0.951 . . . . 0.0 109.536 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' C' ' 10' ' ' ILE . 75.5 m -43.52 -47.22 7.24 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 119.987 -1.696 . . . . 0.0 110.988 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -40.71 87.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 109.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.84 -44.91 95.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.438 -0.789 . . . . 0.0 109.799 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.89 -42.26 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.877 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -70.08 -34.94 73.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.713 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' C' ' 17' ' ' ALA . 10.4 p -61.55 -57.18 13.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 109.948 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . 0.46 ' N ' ' OG ' ' C' ' 16' ' ' SER . . . -64.42 -50.63 66.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.927 . . . . 0.0 109.439 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -48.43 -44.43 35.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.242 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.06 -34.74 71.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.23 -0.919 . . . . 0.0 109.464 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.27 -54.91 25.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.908 . . . . 0.0 109.934 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.419 HG23 ' N ' ' C' ' 22' ' ' ALA . 16.4 tt -66.68 -35.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 109.893 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.419 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -65.88 -40.58 91.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.07 -43.37 95.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.267 -0.896 . . . . 0.0 109.634 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -64.21 -35.34 80.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.271 -0.893 . . . . 0.0 110.055 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 88.1 mt -79.67 -57.07 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.785 -1.197 . . . . 0.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -35.25 85.88 Favored Glycine 0 N--CA 1.503 3.15 0 C-N-CA 119.611 -1.281 . . . . 0.0 109.975 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.74 -48.49 38.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.564 -1.55 . . . . 0.0 109.229 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.04 -36.69 80.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.112 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -57.06 -40.58 77.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.569 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.85 -50.39 72.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.212 -0.93 . . . . 0.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.579 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.6 tp . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 109.099 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 29.6 t80 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 120.593 0.235 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -45.97 -52.1 12.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.801 -1.187 . . . . 0.0 110.424 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.27 -17.47 6.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 121.233 0.539 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.434 HD23 ' C ' ' D' ' 8' ' ' LEU . 4.1 tt -82.43 -55.26 4.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 0.0 109.221 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p -54.72 -45.22 74.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.394 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' D' ' 11' ' ' SER . 79.1 mt -61.42 -49.65 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.211 -0.931 . . . . 0.0 109.141 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.1 m -41.96 -55.17 3.23 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 120.132 -1.605 . . . . 0.0 110.988 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -54.41 -44.03 72.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.504 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.43 -46.64 76.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -0.875 . . . . 0.0 109.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.16 -41.79 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.77 -32.39 72.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.33 -0.856 . . . . 0.0 109.581 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' D' ' 17' ' ' ALA . 24.0 p -61.91 -57.11 13.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 109.855 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . 0.426 ' N ' ' OG ' ' D' ' 16' ' ' SER . . . -61.47 -49.04 78.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.122 -0.986 . . . . 0.0 109.514 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 tp -51.66 -47.14 63.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.892 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -72.36 -32.41 66.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -58.23 -48.83 79.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -76.39 -49.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.947 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.23 72.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.992 . . . . 0.0 109.734 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.42 -43.73 92.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.437 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.9 m -64.46 -34.25 77.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 0.0 109.927 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -58.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.884 -1.135 . . . . 0.0 109.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.3 87.43 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.722 -1.227 . . . . 0.0 110.286 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.48 -53.12 9.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.437 -1.625 . . . . 0.0 109.506 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.67 -44.34 96.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.0 109.428 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -54.71 -39.04 67.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 109.391 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.86 -46.8 84.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.0 109.272 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt . . . . . 0 N--CA 1.493 1.681 0 O-C-N 121.343 -0.848 . . . . 0.0 109.287 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 N--CA 1.499 2.007 0 CA-C-O 120.691 0.281 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.411 ' OE1' ' OG ' ' A' ' 9' ' ' SER . 5.5 tp-100 -46.82 -62.73 1.26 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.871 -1.143 . . . . 0.0 110.015 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 tt -47.77 -21.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.057 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.6 tt -72.84 -54.89 7.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.897 -1.127 . . . . 0.0 108.289 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 6' ' ' GLN . 88.1 p -51.14 -34.56 31.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.349 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.42 -59.83 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.164 -0.96 . . . . 0.0 109.444 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -44.52 -34.58 2.15 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.219 -1.551 . . . . 0.0 110.975 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -68.74 -42.65 77.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.585 -1.322 . . . . 0.0 109.685 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -63.39 -52.63 60.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.302 -0.874 . . . . 0.0 109.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.3 -39.07 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.477 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.9 tt -71.79 -45.95 59.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.445 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.7 p -48.78 -48.0 41.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.274 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.69 52.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.973 -1.079 . . . . 0.0 109.779 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.76 -43.5 69.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.928 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -69.53 -32.68 71.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.39 -51.09 67.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 0.0 109.5 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.18 -49.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.823 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.47 67.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.17 -0.956 . . . . 0.0 109.69 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.72 -42.5 70.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -63.87 -35.65 81.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.07 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.5 mt -81.18 -56.93 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.75 -1.219 . . . . 0.0 109.986 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.1 78.52 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.592 -1.289 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -77.21 -54.74 6.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.523 -1.575 . . . . 0.0 109.228 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD23 ' C ' ' A' ' 28' ' ' LEU . 8.0 tt -59.52 -49.47 77.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -0.873 . . . . 0.0 109.126 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.486 1.072 0 CA-C-O 121.189 0.412 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 8' ' ' LEU . 79.1 t80 -93.02 -58.59 2.28 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.628 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . 0.469 ' OE1' ' CD1' ' B' ' 10' ' ' ILE . 1.4 tm0? -49.8 -42.0 45.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 109.957 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.4 tt -61.59 -21.2 24.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.49 ' O ' HD23 ' B' ' 8' ' ' LEU . 2.8 tt -76.04 -43.16 45.28 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -56.67 -52.81 63.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.316 -0.865 . . . . 0.0 109.67 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.469 ' CD1' ' OE1' ' B' ' 6' ' ' GLN . 96.7 mt -56.7 -55.16 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.082 -1.011 . . . . 0.0 109.478 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.3 m -41.16 -45.87 2.91 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 120.086 -1.634 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -60.92 -44.47 97.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -54.59 -43.46 72.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.46 -47.74 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.274 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.51 -33.09 74.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -58.72 -56.67 19.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.0 109.727 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.19 72.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.129 -0.982 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.488 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.3 OUTLIER -48.88 -51.29 30.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.034 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.454 ' ND1' ' C ' ' B' ' 19' ' ' HIS . 10.5 t-80 -64.95 -40.75 95.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -0.924 . . . . 0.0 109.761 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.24 -49.74 76.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.102 -0.999 . . . . 0.0 109.667 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -71.44 -44.49 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.06 -1.025 . . . . 0.0 109.393 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.32 86.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.202 -0.936 . . . . 0.0 109.61 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -67.21 -44.37 79.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.206 -0.934 . . . . 0.0 109.189 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 40.0 m -63.09 -34.29 77.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.579 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.06 -61.3 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.08 -36.55 74.91 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 120.546 -1.561 . . . . 0.0 109.048 179.602 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.502 2.156 0 CA-C-O 120.67 0.271 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -52.94 -28.47 23.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.625 -1.297 . . . . 0.0 109.592 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -71.61 -19.42 20.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.42 HD23 ' C ' ' C' ' 8' ' ' LEU . 7.5 tt -81.92 -49.49 10.25 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t -55.68 -41.64 74.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.85 . . . . 0.0 109.128 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' C' ' 11' ' ' SER . 84.9 mt -71.58 -52.87 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.322 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.9 m -43.37 -50.2 6.84 Favored 'General case' 0 C--O 1.205 -1.279 0 O-C-N 120.1 -1.625 . . . . 0.0 111.006 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -59.69 -44.74 93.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.657 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.35 -52.81 42.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.907 . . . . 0.0 109.516 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.5 mt -53.83 -45.03 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.541 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.538 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.2 tt -65.88 -39.02 90.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -51.21 -47.69 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.006 . . . . 0.0 109.74 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.35 78.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.108 -0.995 . . . . 0.0 109.402 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.3 -42.36 77.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.245 -0.91 . . . . 0.0 109.037 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.66 -45.67 93.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.641 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -56.81 -55.42 34.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.43 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.0 -59.73 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.26 -0.9 . . . . 0.0 109.245 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.93 -28.46 1.13 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.972 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -71.93 -44.11 64.16 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.158 -0.964 . . . . 0.0 109.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -63.42 -36.02 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 110.063 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.592 HD12 ' N ' ' C' ' 25' ' ' ILE . 1.8 mp -79.64 -57.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.831 -1.168 . . . . 0.0 109.401 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.51 71.81 Favored Glycine 0 N--CA 1.503 3.163 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.195 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.37 -49.45 16.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.528 -1.572 . . . . 0.0 109.531 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.5 -38.94 93.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.47 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . 0.532 ' ND2' ' NE2' ' D' ' 30' ' ' GLN . 51.7 t-20 -50.45 -38.84 45.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -55.32 -48.73 73.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 122.231 1.015 . . . . 0.0 108.486 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -50.48 -56.1 13.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.068 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.8 -34.26 30.39 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.779 -1.2 . . . . 0.0 109.512 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -63.26 -46.37 87.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.463 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.92 -49.79 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.053 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -44.55 -49.01 10.29 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 119.74 -1.85 . . . . 0.0 110.986 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -65.69 -42.51 91.13 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.791 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -53.12 -49.6 66.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 110.193 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 29.7 pt -66.23 -31.82 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.93 -1.106 . . . . 0.0 109.64 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.56 -35.83 65.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -62.34 -60.54 3.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.275 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.54 76.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.563 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 39.1 tp -57.18 -35.32 69.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.176 -0.953 . . . . 0.0 109.216 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -77.89 -35.92 50.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.19 -0.944 . . . . 0.0 109.595 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.99 -46.15 75.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . 0.488 HG23 ' N ' ' D' ' 22' ' ' ALA . 21.1 tt -71.42 -39.79 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.965 . . . . 0.0 109.893 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . 0.488 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -68.42 -41.82 79.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.182 -0.948 . . . . 0.0 109.803 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -62.78 -45.26 93.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.129 -0.982 . . . . 0.0 109.682 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -63.75 -33.38 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 110.079 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.9 mt -81.35 -57.59 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.925 -1.109 . . . . 0.0 109.995 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.05 -35.7 91.16 Favored Glycine 0 N--CA 1.504 3.232 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.371 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -71.3 -47.53 56.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.436 -1.626 . . . . 0.0 109.072 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -39.17 87.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.247 -0.908 . . . . 0.0 108.853 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.8 m120 -57.98 -38.86 76.86 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.319 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . 0.532 ' NE2' ' ND2' ' C' ' 29' ' ' ASN . 54.5 tt0 -59.93 -42.77 94.68 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.223 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt . . . . . 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' LEU . 47.9 tt0 -45.99 -65.06 0.6 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.86 -1.15 . . . . 0.0 110.086 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tp -44.98 -22.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.0 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.5 tt -74.75 -41.71 59.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.942 -1.099 . . . . 0.0 108.403 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.0 p -62.45 -39.02 92.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.5 mp -62.29 -59.31 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -43.72 -42.19 5.27 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 120.143 -1.598 . . . . 0.0 111.009 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -70.7 -45.16 65.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.679 -1.263 . . . . 0.0 109.393 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.67 -46.2 89.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.617 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.74 -41.04 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.234 -0.916 . . . . 0.0 109.622 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.1 tt -72.68 -39.9 66.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 m -53.59 -45.99 70.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.063 -1.023 . . . . 0.0 109.956 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -49.02 50.17 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 109.596 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.68 -38.2 69.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.48 -40.33 92.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.934 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.44 -52.52 64.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.112 -0.993 . . . . 0.0 109.823 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.08 -39.18 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.96 85.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 109.76 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -66.87 -44.74 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 m -65.11 -33.99 77.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.97 -57.74 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.948 -1.095 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.67 -34.33 89.3 Favored Glycine 0 N--CA 1.503 3.148 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.247 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.48 -49.61 31.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.472 -1.605 . . . . 0.0 109.354 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.31 -35.49 62.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.223 -0.923 . . . . 0.0 109.376 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.482 0.833 0 CA-C-O 121.08 0.367 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -99.13 -40.82 7.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.777 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -46.32 -67.18 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.596 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.1 tt -58.45 -19.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.236 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.488 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.4 OUTLIER -71.58 -54.68 9.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 108.925 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -59.51 -31.34 69.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.32 -59.89 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -44.85 -49.3 10.94 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 120.42 -1.425 . . . . 0.0 110.965 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -64.32 -40.94 96.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.868 -1.145 . . . . 0.0 109.478 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.91 -43.83 91.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.656 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.05 -52.13 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.454 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 15' ' ' LEU . 2.3 tt -61.82 -44.65 96.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.064 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -45.99 -57.12 4.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.79 93.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.175 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 18' ' ' LEU . 0.3 OUTLIER -49.74 -53.97 21.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.03 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -36.94 76.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.72 -48.75 79.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 109.565 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.75 -43.77 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.18 98.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.712 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -63.28 -45.48 91.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 0.0 109.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -63.15 -33.94 76.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -0.931 . . . . 0.0 109.842 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.23 -58.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.92 -1.113 . . . . 0.0 110.057 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.54 76.94 Favored Glycine 0 N--CA 1.503 3.121 0 C-N-CA 119.88 -1.153 . . . . 0.0 110.504 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 N--CA 1.492 1.64 0 O-C-N 120.405 -1.644 . . . . 0.0 109.512 -179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 77.5 t80 . . . . . 0 N--CA 1.499 1.985 0 CA-C-O 121.239 0.543 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . 0.607 ' NE2' ' H ' ' C' ' 7' ' ' ILE . 1.5 pm0 -52.07 -26.81 11.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.912 -1.118 . . . . 0.0 109.836 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.607 ' H ' ' NE2' ' C' ' 6' ' ' GLN . 8.2 tp -72.04 -23.36 21.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -74.0 -43.25 58.69 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -69.54 -52.05 29.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.429 -0.794 . . . . 0.0 109.453 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.5 mt -53.62 -39.74 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -67.71 -44.73 76.99 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 119.969 -1.707 . . . . 0.0 111.008 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -62.45 -24.32 67.37 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.364 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -76.96 -63.78 1.28 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.766 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.88 -32.81 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 0.0 109.685 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.56 -38.64 59.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -0.92 . . . . 0.0 109.505 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -55.69 -54.63 41.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 0.0 109.954 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.95 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.113 -0.992 . . . . 0.0 109.619 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 tp -48.26 -46.22 35.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.0 109.665 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.63 -33.96 76.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.0 110.163 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.58 -48.95 79.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 pt -72.49 -31.49 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.108 -0.995 . . . . 0.0 110.143 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.443 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -73.05 -25.07 60.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.034 -1.041 . . . . 0.0 109.603 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -77.42 -47.97 18.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.295 -0.878 . . . . 0.0 109.697 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -67.41 -33.28 74.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.854 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.41 -54.58 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.894 -1.129 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.44 86.49 Favored Glycine 0 N--CA 1.502 3.046 0 C-N-CA 119.605 -1.283 . . . . 0.0 109.933 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -76.12 -48.79 19.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.582 -1.54 . . . . 0.0 109.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.77 -41.99 91.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.17 -37.67 75.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.55 -50.43 73.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 109.533 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.596 ' O ' HG23 ' C' ' 31' ' ' ILE . 3.1 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 121.23 -0.919 . . . . 0.0 109.241 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 41.3 t80 . . . . . 0 N--CA 1.501 2.075 0 CA-C-O 120.657 0.265 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -54.74 -27.74 43.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.648 -1.282 . . . . 0.0 110.297 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -71.98 -20.54 20.38 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.499 HD23 ' C ' ' D' ' 8' ' ' LEU . 6.0 tt -80.97 -51.9 8.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.2 t -57.23 -53.03 62.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.312 -0.868 . . . . 0.0 109.687 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.46 -53.94 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.97 . . . . 0.0 109.672 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.32 -43.83 11.08 Favored 'General case' 0 C--O 1.208 -1.097 0 O-C-N 119.877 -1.765 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -62.68 -46.79 86.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.45 -0.782 . . . . 0.0 109.839 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.73 -48.17 80.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 109.535 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.26 -45.05 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 0.0 109.736 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.533 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.0 OUTLIER -67.67 -41.89 83.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.201 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -47.79 -49.86 27.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.973 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.67 -52.32 52.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.74 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.89 -49.75 62.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.897 . . . . 0.0 109.517 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -63.33 -38.25 90.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 0.0 109.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.91 -50.58 72.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.63 -40.55 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.205 -0.934 . . . . 0.0 109.968 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.4 70.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.0 109.997 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . 0.443 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 45.6 t-105 -78.76 -44.72 22.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.572 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -63.01 -33.74 76.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.85 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.17 -60.85 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.889 -1.132 . . . . 0.0 110.017 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -34.22 87.06 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.737 -1.221 . . . . 0.0 110.165 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.23 -50.02 30.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.483 -1.598 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.03 -44.13 93.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -54.07 -41.6 68.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -56.21 -44.99 80.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.212 -0.93 . . . . 0.0 109.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.207 -0.933 . . . . 0.0 109.574 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.5 t80 . . . . . 0 N--CA 1.502 2.136 0 CA-C-O 120.861 0.362 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.61 -22.15 43.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.742 -1.224 . . . . 0.0 110.206 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.28 -20.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 O-C-N 121.505 -0.747 . . . . 0.0 109.396 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.53 -48.53 9.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 108.7 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -49.08 71.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 11' ' ' SER . 62.5 mt -72.76 -55.14 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.711 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' ILE . 71.0 m -43.08 -49.85 6.18 Favored 'General case' 0 C--O 1.207 -1.174 0 O-C-N 119.938 -1.726 . . . . 0.0 110.995 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -63.58 -43.21 97.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.397 -0.814 . . . . 0.0 109.839 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -58.04 -48.28 80.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.803 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.44 -42.04 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.452 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.52 -38.19 71.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 109.091 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 m -51.2 -42.94 61.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.178 -0.951 . . . . 0.0 109.777 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.67 59.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.119 -0.988 . . . . 0.0 109.579 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.6 -42.2 78.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.507 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -67.83 -36.47 80.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 109.792 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.47 -48.82 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.787 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.07 -41.16 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 109.807 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.94 79.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.685 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -74.04 -43.93 56.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -64.36 -36.6 84.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 110.128 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.99 -55.74 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.774 -1.204 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.42 86.55 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -72.73 -45.45 58.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.563 -1.551 . . . . 0.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.82 -31.98 65.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.395 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 109.618 -179.889 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 N--CA 1.485 1.014 0 CA-C-O 121.28 0.45 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -83.2 -44.51 14.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.202 -0.936 . . . . 0.0 110.97 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -45.44 -63.98 0.83 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.963 -1.085 . . . . 0.0 110.249 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -46.99 -22.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.044 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.532 ' O ' HD23 ' B' ' 8' ' ' LEU . 1.2 tt -74.71 -43.42 55.18 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.013 -1.055 . . . . 0.0 108.577 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -60.34 -41.5 93.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.314 -0.866 . . . . 0.0 109.689 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.551 HD12 ' N ' ' B' ' 10' ' ' ILE . 1.9 mp -61.0 -59.58 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.083 -1.01 . . . . 0.0 109.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.6 m -43.64 -39.79 3.77 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.045 -1.659 . . . . 0.0 110.977 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -60.54 -42.75 97.16 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.815 -1.178 . . . . 0.0 109.14 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -62.57 -38.02 88.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 109.751 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.31 -46.99 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.22 -30.91 71.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 0.0 109.633 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 54.9 m -60.29 -53.42 57.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.975 . . . . 0.0 109.9 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -50.48 62.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 109.573 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -51.18 -42.27 60.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.0 109.446 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -70.77 -35.96 72.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.562 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -66.58 -56.71 9.5 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.593 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -61.51 -35.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.401 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.56 -44.15 68.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.777 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -64.43 -44.7 90.36 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.199 -0.938 . . . . 0.0 109.527 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.1 m -61.07 -32.92 72.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.128 -0.983 . . . . 0.0 109.902 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.84 -59.47 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.886 -1.134 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.12 -34.28 72.6 Favored Glycine 0 N--CA 1.504 3.2 0 C-N-CA 119.859 -1.162 . . . . 0.0 110.71 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' B' ' 27' ' ' HIS . 8.0 t-80 . . . . . 0 N--CA 1.493 1.698 0 O-C-N 120.401 -1.647 . . . . 0.0 109.658 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 35.4 t80 . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . 0.483 ' OE1' ' CG1' ' C' ' 10' ' ' ILE . 1.4 tm0? -44.77 -62.45 1.21 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.0 -1.063 . . . . 0.0 110.612 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.43 -21.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.298 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.1 tt -70.43 -47.5 60.44 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.802 -1.186 . . . . 0.0 108.684 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.34 -31.01 72.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.102 -0.999 . . . . 0.0 109.803 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.483 ' CG1' ' OE1' ' C' ' 6' ' ' GLN . 35.5 mm -63.73 -59.55 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.065 -1.022 . . . . 0.0 110.101 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -49.83 -43.92 49.08 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 120.192 -1.568 . . . . 0.0 110.981 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -65.0 -40.46 94.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.531 -1.356 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.77 -46.47 78.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.515 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.48 -42.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 109.612 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.53 HD23 ' O ' ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.61 -41.72 75.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 109.433 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.5 p -49.82 -50.56 44.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.0 109.781 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.72 75.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.0 109.395 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.46 -46.75 70.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.915 . . . . 0.0 108.998 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -61.96 -35.43 78.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.411 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.68 -50.33 71.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.0 109.725 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.06 -45.88 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 109.922 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.77 73.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 0.0 109.706 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -66.66 -46.29 76.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.183 -0.948 . . . . 0.0 109.535 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -60.94 -32.88 72.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.985 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.65 -64.77 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -35.86 88.65 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.644 -1.265 . . . . 0.0 110.17 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.07 -49.64 49.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.465 -1.609 . . . . 0.0 109.355 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.12 -35.13 80.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.335 -0.853 . . . . 0.0 109.488 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -56.7 -35.57 68.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 0.0 109.664 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.25 -51.08 70.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 0.0 109.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.45 ' O ' HG23 ' C' ' 31' ' ' ILE . 13.1 tt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.156 -0.965 . . . . 0.0 109.04 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -48.69 -53.27 19.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -57.73 -20.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.104 0 CA-C-O 121.264 0.554 . . . . 0.0 109.841 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.4 tt -71.49 -48.57 48.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -42.07 84.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.396 -0.815 . . . . 0.0 109.42 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' D' ' 11' ' ' SER . 28.0 mm -54.32 -59.6 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.072 -1.018 . . . . 0.0 109.137 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.412 ' C ' ' O ' ' D' ' 10' ' ' ILE . 70.7 m -43.95 -48.05 8.57 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 120.13 -1.606 . . . . 0.0 110.973 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -60.45 -40.59 91.68 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.584 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.634 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.07 -39.4 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.487 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.563 ' O ' HD23 ' D' ' 15' ' ' LEU . 1.6 tt -72.15 -43.44 64.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.0 109.299 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -50.39 -47.78 56.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 110.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.07 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.954 . . . . 0.0 109.767 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.54 -49.48 75.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 109.405 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.46 -36.6 82.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.182 -0.949 . . . . 0.0 109.718 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.16 -50.99 71.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.946 . . . . 0.0 109.773 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -74.49 -37.62 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.203 -0.936 . . . . 0.0 109.807 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.55 73.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -71.55 -46.63 58.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.714 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -62.33 -32.35 73.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.795 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.06 -61.51 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.968 -1.083 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.86 88.37 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.617 -1.277 . . . . 0.0 109.976 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -72.17 -57.3 4.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.501 -1.588 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.28 -44.4 75.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.287 -0.883 . . . . 0.0 108.959 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -57.3 -40.26 77.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.342 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.33 -44.74 88.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.56 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 59.7 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.9 tt 84.37 -60.85 0.1 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.897 -0.502 . . . . 0.0 110.337 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.4 mt-10 -74.46 -43.55 5.52 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 76.7 Cg_endo -101.3 -9.22 0.26 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 123.205 2.603 . . . . 0.0 112.734 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.408 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 43.0 t80 -110.76 -62.91 1.46 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.344 -0.847 . . . . 0.0 110.878 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -52.87 -26.03 13.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.79 -1.194 . . . . 0.0 110.061 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.68 -19.42 16.71 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 O-C-N 121.615 -0.678 . . . . 0.0 109.502 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 8' ' ' LEU . 4.8 tt -83.41 -48.89 9.87 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -57.38 -51.46 69.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.0 109.752 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 86.2 mt -64.04 -55.83 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 109.71 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.2 m -42.95 -50.6 5.82 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 119.932 -1.73 . . . . 0.0 110.96 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.3 m -59.33 -41.23 88.67 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 0.0 109.601 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -55.37 -46.49 76.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.4 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -58.07 -40.75 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.918 . . . . 0.0 109.403 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.6 tt -68.93 -41.59 77.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.299 -0.876 . . . . 0.0 109.355 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 m -50.46 -52.5 37.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.066 -1.021 . . . . 0.0 109.913 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.89 79.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 109.575 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -63.93 -54.18 38.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.174 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -65.12 -37.12 86.44 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -0.888 . . . . 0.0 109.736 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -52.21 -50.66 61.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.193 -0.942 . . . . 0.0 109.64 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.98 -45.57 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.633 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' B' ' 23' ' ' TRP . . . -57.71 -22.4 46.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.176 -0.953 . . . . 0.0 109.562 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -80.37 -47.08 14.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.31 -0.869 . . . . 0.0 109.35 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -62.26 -33.59 74.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.9 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.71 -60.7 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.939 -1.101 . . . . 0.0 109.914 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.98 -34.39 83.1 Favored Glycine 0 N--CA 1.502 3.085 0 C-N-CA 119.609 -1.281 . . . . 0.0 109.905 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -74.49 -52.25 12.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.575 -1.544 . . . . 0.0 109.395 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.17 -41.12 98.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.265 -0.897 . . . . 0.0 109.121 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.593 ' ND2' HE21 ' B' ' 30' ' ' GLN . 60.6 t-20 -54.53 -39.77 67.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.297 -0.877 . . . . 0.0 109.446 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -54.46 -51.2 65.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.4 tt -91.34 58.74 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.232 -0.917 . . . . 0.0 109.167 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -165.19 -65.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.88 -1.137 . . . . 0.0 109.223 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.7 ttt-85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.524 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tp -85.37 -139.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -166.38 -62.88 0.01 OUTLIER Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 120.04 -1.662 . . . . 0.0 109.928 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.07 -64.26 0.08 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.885 1.724 . . . . 0.0 111.919 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CD1' ' O ' ' B' ' 5' ' ' PHE . 37.2 t80 -76.25 -15.31 60.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.479 -0.763 . . . . 0.0 109.786 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -69.81 0.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.077 0.941 . . . . 0.0 110.031 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.4 tt -47.77 -22.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.14 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.847 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 8' ' ' LEU . 1.9 tt -71.07 -49.27 46.46 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.79 -1.194 . . . . 0.0 108.69 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.4 p -60.15 -38.86 84.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 0.0 109.374 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' B' ' 11' ' ' SER . 19.5 mm -60.52 -58.59 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.428 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.421 ' C ' ' O ' ' B' ' 10' ' ' ILE . 71.1 m -43.17 -48.03 6.35 Favored 'General case' 0 C--O 1.208 -1.096 0 O-C-N 119.976 -1.702 . . . . 0.0 110.997 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -57.68 -35.53 70.73 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.616 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.87 -43.96 97.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.177 -0.952 . . . . 0.0 109.315 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -57.68 -46.84 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.342 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.89 -38.63 91.63 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.328 -0.857 . . . . 0.0 109.757 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 57.0 p -52.63 -47.16 67.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.115 -0.991 . . . . 0.0 109.599 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.11 -38.02 44.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.142 -0.974 . . . . 0.0 109.602 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.527 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -57.8 -38.17 75.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 109.063 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -73.68 -48.79 29.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.117 -0.989 . . . . 0.0 109.851 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -61.28 -46.68 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 109.919 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.536 HD13 ' O ' ' B' ' 21' ' ' ILE . 0.2 OUTLIER -67.76 -45.35 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.294 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.456 ' N ' ' CG2' ' B' ' 21' ' ' ILE . . . -63.16 -37.31 86.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.981 -1.075 . . . . 0.0 109.488 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 22' ' ' ALA . 62.8 t-105 -60.88 -44.93 96.39 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.201 -0.937 . . . . 0.0 109.412 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 33.8 m -62.49 -33.84 75.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 109.874 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 84.5 mt -82.56 -58.3 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 120.986 -1.071 . . . . 0.0 110.382 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.37 82.52 Favored Glycine 0 N--CA 1.504 3.218 0 C-N-CA 119.852 -1.166 . . . . 0.0 110.808 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -54.97 -38.7 68.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.328 -1.69 . . . . 0.0 109.535 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.81 -36.24 64.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.387 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.636 HD22 ' N ' ' B' ' 29' ' ' ASN . 1.3 m120 -53.68 -37.48 63.25 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.236 -0.915 . . . . 0.0 109.244 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.593 HE21 ' ND2' ' A' ' 29' ' ' ASN . 62.5 tt0 -62.76 -49.29 75.6 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 109.16 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 pt -90.86 55.62 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.886 . . . . 0.0 109.304 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -157.47 -64.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.358 -0.839 . . . . 0.0 109.458 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.424 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 31.3 mtt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.424 ' H ' ' HB3' ' C' ' 6' ' ' GLN . 12.0 tp -94.14 -136.44 0.2 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.239 -0.913 . . . . 0.0 108.851 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.566 ' C ' ' H ' ' C' ' 5' ' ' PHE . 1.8 mm-40 -78.94 -172.58 0.34 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 120.169 -1.582 . . . . 0.0 107.333 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 71.8 Cg_exo -52.07 4.0 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.744 1.63 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.566 ' H ' ' C ' ' C' ' 3' ' ' GLU . 62.4 t80 -96.41 -64.1 1.08 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.139 -0.976 . . . . 0.0 110.747 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.424 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 2.1 tp-100 -70.7 -32.18 69.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.498 -1.376 . . . . 0.0 110.431 -178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.432 HG22 ' O ' ' C' ' 3' ' ' GLU . 18.2 tt -68.76 -18.07 22.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.03 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.922 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tt -83.53 -47.04 11.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 0.0 108.917 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -55.89 -42.79 76.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.353 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.66 -56.85 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 0.0 109.137 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.9 m -44.7 -52.88 7.87 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 111.0 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 32.1 t -61.73 -40.31 94.64 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 119.681 -0.807 . . . . 0.0 109.36 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -57.94 -48.69 79.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.17 -36.06 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 0.0 109.234 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.538 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.1 tt -71.77 -45.28 62.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.286 -0.884 . . . . 0.0 109.189 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 62.4 m -46.95 -48.13 21.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.048 -1.032 . . . . 0.0 110.02 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.46 -48.05 68.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.063 -1.023 . . . . 0.0 109.794 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 tp -52.24 -49.71 63.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.247 -0.908 . . . . 0.0 109.524 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -64.03 -39.27 93.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.236 -0.915 . . . . 0.0 110.021 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -56.93 -51.86 67.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.138 -0.976 . . . . 0.0 109.787 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.57 -60.45 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.425 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -45.63 -28.03 0.9 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 110.15 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -73.62 -44.16 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -65.33 -35.89 82.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 110.519 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.603 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.9 mp -81.57 -52.96 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.713 -1.242 . . . . 0.0 109.46 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.35 90.83 Favored Glycine 0 N--CA 1.503 3.166 0 C-N-CA 119.595 -1.288 . . . . 0.0 109.978 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -71.24 -43.56 67.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.568 -1.548 . . . . 0.0 109.195 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.92 -36.05 76.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.36 -0.837 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.63 -32.15 68.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.096 -1.002 . . . . 0.0 109.452 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -63.23 -50.13 71.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.0 109.637 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.41 ' O ' HG23 ' C' ' 31' ' ' ILE . 11.8 tt -85.22 49.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.147 -0.971 . . . . 0.0 108.941 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -104.1 -45.11 4.81 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.365 -0.834 . . . . 0.0 109.103 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.537 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' D' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -74.34 -138.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.108 -0.995 . . . . 0.0 108.577 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.455 ' CB ' ' CD ' ' D' ' 4' ' ' PRO . 8.5 mt-10 -148.94 -67.22 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.921 0 O-C-N 120.201 -1.562 . . . . 0.0 109.186 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 49.8 Cg_endo -66.36 -24.13 50.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.031 1.821 . . . . 0.0 111.79 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -100.71 -38.09 8.46 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -60.23 -25.38 65.6 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.352 -0.842 . . . . 0.0 109.589 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 5.9 tp -74.03 -19.4 17.43 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.584 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.7 tt -79.89 -48.48 13.39 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.1 p -58.74 -49.43 77.66 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.591 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.91 -52.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -48.78 -40.83 30.37 Favored 'General case' 0 C--O 1.211 -0.972 0 O-C-N 119.913 -1.742 . . . . 0.0 110.984 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 98.6 p -67.08 -32.62 73.91 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -0.792 . . . . 0.0 109.47 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -63.24 -43.57 97.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 68.3 mt -65.92 -39.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 0.0 109.452 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.583 HD23 ' O ' ' D' ' 15' ' ' LEU . 2.0 tt -73.21 -42.12 63.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.305 -0.872 . . . . 0.0 109.745 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 29.0 t -54.85 -46.74 74.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.978 -1.076 . . . . 0.0 110.197 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.03 63.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.047 -1.033 . . . . 0.0 109.646 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.84 -46.16 64.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.174 -0.954 . . . . 0.0 109.084 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -67.26 -37.45 83.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.259 -0.9 . . . . 0.0 109.674 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.65 -52.54 65.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.196 -0.94 . . . . 0.0 109.806 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.88 -40.26 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 109.66 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.46 82.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.085 -1.009 . . . . 0.0 109.51 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . 0.425 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 47.1 t-105 -69.68 -43.67 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 27.0 m -63.19 -31.9 73.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.0 110.008 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.8 mt -79.83 -60.38 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.004 -1.06 . . . . 0.0 110.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.66 93.03 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.214 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.81 -50.68 55.49 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.47 -1.606 . . . . 0.0 109.073 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.28 -47.0 79.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.359 -0.838 . . . . 0.0 109.313 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.86 -33.76 72.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.461 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -58.25 -40.33 81.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.2 pt -90.79 51.79 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.256 -0.902 . . . . 0.0 109.494 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -162.81 -56.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.482 -0.761 . . . . 0.0 109.323 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.414 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 61.4 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.9 tt 86.06 -60.62 0.06 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 122.047 -0.408 . . . . 0.0 110.121 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.8 mt-10 -69.95 -49.82 18.54 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.563 -1.336 . . . . 0.0 109.127 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 36.3 Cg_endo -93.69 -27.28 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.807 2.338 . . . . 0.0 112.187 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.507 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 17.1 t80 -83.44 -49.82 8.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.261 -0.9 . . . . 0.0 110.527 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' LEU . 1.8 tp-100 -45.92 -63.91 0.87 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.895 -1.128 . . . . 0.0 110.072 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 tt -45.31 -20.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.097 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.004 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 tt -75.76 -49.15 19.0 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.024 -1.048 . . . . 0.0 108.302 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.9 p -57.57 -36.21 71.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.299 -0.875 . . . . 0.0 109.224 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' SER . 20.2 mm -61.37 -56.84 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.269 -0.894 . . . . 0.0 109.23 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' ILE . 70.8 m -43.03 -49.69 6.07 Favored 'General case' 0 C--O 1.207 -1.161 0 O-C-N 120.03 -1.669 . . . . 0.0 110.974 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -56.57 -36.7 69.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.402 -0.811 . . . . 0.0 109.463 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.41 -37.08 85.87 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.888 . . . . 0.0 109.658 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.57 -42.91 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.897 . . . . 0.0 109.917 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.4 mt -69.93 -35.54 74.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.245 -0.91 . . . . 0.0 110.066 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -61.18 -48.38 81.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.05 -1.031 . . . . 0.0 109.991 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -50.27 40.65 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.008 . . . . 0.0 109.528 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.04 -43.69 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.96 . . . . 0.0 108.961 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -64.44 -37.93 89.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.346 -0.846 . . . . 0.0 109.407 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.72 -52.93 63.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -0.853 . . . . 0.0 109.832 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.95 -44.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.768 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.14 82.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.205 -0.934 . . . . 0.0 109.566 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 59.8 t-105 -63.36 -43.53 97.42 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.194 -0.941 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.0 m -64.35 -33.02 74.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 0.0 109.963 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.95 -59.33 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.928 -1.108 . . . . 0.0 109.981 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.59 -35.51 91.92 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.75 -1.215 . . . . 0.0 110.279 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -71.32 -50.05 36.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.473 -1.604 . . . . 0.0 109.424 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.74 -35.97 73.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.352 -0.843 . . . . 0.0 109.453 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.16 -36.36 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.155 -0.966 . . . . 0.0 109.519 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -58.39 -46.48 86.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.22 -0.925 . . . . 0.0 109.505 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.5 tt -92.67 56.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.211 -0.93 . . . . 0.0 108.965 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -159.76 -70.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.995 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.052 -0.975 . . . . 0.0 109.485 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.4 tt 84.33 -62.92 0.08 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.921 -0.487 . . . . 0.0 110.397 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 0.4 OUTLIER -66.6 -51.4 41.05 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 120.45 -1.406 . . . . 0.0 109.275 -179.419 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 35.9 Cg_endo -91.56 -26.01 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.475 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 26.4 t80 -87.14 -47.83 8.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.882 . . . . 0.0 111.138 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -46.14 -52.84 11.46 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.824 -1.172 . . . . 0.0 110.521 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -55.83 -20.25 8.27 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 CA-C-O 121.201 0.524 . . . . 0.0 109.904 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.76 -50.04 13.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.989 . . . . 0.0 109.009 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.7 p -55.29 -37.2 67.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.745 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -66.75 -61.83 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.065 -1.022 . . . . 0.0 109.649 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -46.46 -37.84 8.32 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 119.961 -1.712 . . . . 0.0 110.977 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 27.8 p -69.42 -29.78 67.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.621 -1.3 . . . . 0.0 109.933 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -72.26 -56.57 5.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.06 -34.39 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.075 -1.016 . . . . 0.0 109.868 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -75.51 -38.44 59.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.16 -0.962 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 m -56.59 -49.64 74.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.161 -0.962 . . . . 0.0 110.064 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.13 -51.51 37.62 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.05 -1.031 . . . . 0.0 109.562 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 23.7 tp -50.62 -43.0 56.75 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.268 -0.895 . . . . 0.0 109.37 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -64.53 -36.09 83.09 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.716 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -62.92 -51.07 68.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.08 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 pt -76.28 -29.25 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.04 -1.038 . . . . 0.0 110.051 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.73 -25.4 62.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.003 . . . . 0.0 109.647 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -84.44 -48.08 10.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.926 . . . . 0.0 109.605 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 44.1 m -67.65 -34.47 77.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.171 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.87 -50.15 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.977 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.26 76.4 Favored Glycine 0 N--CA 1.503 3.125 0 C-N-CA 119.74 -1.219 . . . . 0.0 110.11 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -56.35 -39.87 73.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.553 -1.557 . . . . 0.0 109.375 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 14.7 mt -54.73 -37.81 66.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.216 -0.927 . . . . 0.0 109.407 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.592 HD22 ' N ' ' B' ' 29' ' ' ASN . 1.7 m120 -50.23 -47.93 54.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.935 . . . . 0.0 109.248 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -56.08 -33.84 65.41 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.183 -0.948 . . . . 0.0 108.5 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -90.45 49.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.469 -0.77 . . . . 0.0 109.033 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -165.61 -67.67 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.483 -0.761 . . . . 0.0 109.46 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.495 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.525 ' N ' ' NE2' ' C' ' 6' ' ' GLN . 33.8 mtm . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.332 0.587 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.466 ' H ' ' HB3' ' C' ' 6' ' ' GLN . 62.8 tp -50.67 -82.22 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.486 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.2 mm-40 176.45 -50.5 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 120.222 -1.549 . . . . 0.0 110.735 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 66.7 Cg_endo -88.32 -59.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.574 2.183 . . . . 0.0 114.077 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -106.6 -40.98 5.39 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.266 -0.896 . . . . 0.0 111.45 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.525 ' NE2' ' N ' ' C' ' 1' ' ' MET . 35.2 tt0 -57.83 -68.0 0.28 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.493 -1.379 . . . . 0.0 110.677 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 15.7 tt -46.59 -22.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.094 0 O-C-N 121.804 -0.56 . . . . 0.0 110.149 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.71 -39.57 66.87 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.963 -1.086 . . . . 0.0 108.337 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -63.16 -40.93 98.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.463 -0.773 . . . . 0.0 109.171 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.573 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.7 mp -62.75 -67.55 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.163 -0.96 . . . . 0.0 109.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -43.42 -47.02 6.9 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 120.152 -1.592 . . . . 0.0 110.968 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -64.12 -39.79 94.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.723 -1.235 . . . . 0.0 108.983 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -65.42 -51.58 59.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.408 -0.808 . . . . 0.0 109.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.44 -33.44 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.315 -0.866 . . . . 0.0 109.475 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.9 tp -76.13 -35.81 59.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 109.885 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -60.05 -51.05 71.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.073 -1.017 . . . . 0.0 109.934 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -51.26 52.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.146 -0.971 . . . . 0.0 109.505 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.03 -40.74 70.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.292 -0.88 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -64.5 -45.19 88.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.194 -0.941 . . . . 0.0 110.042 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -54.3 -53.57 51.99 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.139 -0.976 . . . . 0.0 109.925 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.59 -52.03 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.871 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.95 -47.43 52.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.945 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -64.02 -43.75 94.66 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.201 -0.937 . . . . 0.0 109.577 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -59.92 -32.36 70.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.782 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 82.7 mt -81.67 -64.0 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 120.961 -1.087 . . . . 0.0 110.219 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -38.39 68.89 Favored Glycine 0 N--CA 1.504 3.201 0 C-N-CA 119.677 -1.249 . . . . 0.0 110.074 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.9 -51.48 47.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.491 -1.593 . . . . 0.0 109.18 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.16 -35.86 80.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.394 -0.816 . . . . 0.0 109.207 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -60.5 -38.23 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 109.216 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -55.71 -48.76 74.62 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.224 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.591 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.9 tp -93.02 58.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.278 -0.889 . . . . 0.0 109.017 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -159.82 -70.98 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.885 -1.134 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.526 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.574 ' H2 ' ' HB2' ' D' ' 6' ' ' GLN . 65.7 mtt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.79 HD22 ' N ' ' D' ' 2' ' ' LEU . 2.3 mm? -84.41 -80.48 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.025 -1.047 . . . . 0.0 108.823 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.5 mt-10 171.54 -51.59 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 120.992 -1.067 . . . . 0.0 108.762 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 39.4 Cg_endo -90.83 -37.58 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.774 2.316 . . . . 0.0 112.828 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -89.14 -54.81 3.94 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.226 -0.921 . . . . 0.0 110.61 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . 0.574 ' HB2' ' H2 ' ' D' ' 1' ' ' MET . 34.5 tp60 -52.05 -42.68 63.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.998 -1.064 . . . . 0.0 110.204 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.2 -18.21 19.53 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.203 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.413 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.2 tt -79.37 -52.17 8.44 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.6 p -59.76 -43.49 94.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.163 -0.96 . . . . 0.0 109.551 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.1 -34.41 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.204 -0.935 . . . . 0.0 109.609 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -71.28 -33.57 69.87 Favored 'General case' 0 C--O 1.209 -1.046 0 O-C-N 120.01 -1.682 . . . . 0.0 110.941 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -71.86 -36.42 70.11 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.714 -0.795 . . . . 0.0 109.664 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -64.75 -53.68 43.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.0 109.838 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tp -63.65 -32.97 58.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.168 -0.958 . . . . 0.0 109.687 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.06 -35.01 61.89 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.207 -0.933 . . . . 0.0 109.956 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.9 p -62.81 -53.97 46.12 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.132 -0.98 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.98 93.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.151 -0.968 . . . . 0.0 109.548 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.53 -41.33 97.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.356 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.863 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -56.96 -52.32 65.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.854 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.54 -38.26 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.728 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.45 65.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.146 -0.971 . . . . 0.0 109.585 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -79.68 -45.44 18.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.588 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.4 m -66.53 -36.45 82.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.099 -1.001 . . . . 0.0 109.827 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.418 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 94.1 mt -76.36 -54.38 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.74 -1.225 . . . . 0.0 110.052 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . 0.432 ' O ' ' OD1' ' D' ' 29' ' ' ASN . . . -63.54 -28.11 71.95 Favored Glycine 0 N--CA 1.504 3.209 0 C-N-CA 119.92 -1.133 . . . . 0.0 110.279 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -87.05 -55.83 3.65 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.557 -1.555 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.96 -55.36 20.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.778 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' D' ' 30' ' ' GLN . 38.1 p-10 -54.43 -34.82 62.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.069 -1.02 . . . . 0.0 109.623 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' D' ' 29' ' ' ASN . 38.0 tt0 -58.13 -42.1 85.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.122 -0.987 . . . . 0.0 109.316 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 22.2 pt -90.84 51.85 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 109.479 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -111.57 -34.74 5.99 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.486 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 54.8 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.0 tt 82.3 -57.22 0.21 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.79 -0.569 . . . . 0.0 110.235 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.7 tt0 -74.34 -48.79 5.5 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.48 -1.388 . . . . 0.0 109.533 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 40.6 Cg_endo -98.04 -13.93 0.33 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 123.001 2.468 . . . . 0.0 112.738 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 35.3 t80 -102.42 -62.33 1.28 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -53.98 -28.13 35.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.74 -1.225 . . . . 0.0 109.974 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 tt -72.57 -20.14 19.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.98 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.151 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.8 tt -79.3 -48.57 13.88 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 p -59.26 -34.11 71.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.814 . . . . 0.0 109.706 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.47 -65.57 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 109.946 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -44.92 -40.7 6.55 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.012 -1.68 . . . . 0.0 110.965 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -64.17 -43.9 93.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.84 -1.163 . . . . 0.0 109.243 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -54.7 -40.15 68.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.321 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.2 -45.2 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.317 -0.865 . . . . 0.0 109.331 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.68 -35.8 81.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -0.849 . . . . 0.0 109.646 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.8 m -56.31 -47.87 77.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.192 -0.942 . . . . 0.0 109.986 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.49 72.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.119 -0.988 . . . . 0.0 109.612 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.3 tp -50.7 -48.0 58.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.929 . . . . 0.0 109.353 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -62.65 -37.73 87.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.777 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.47 -51.18 70.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.891 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.75 -39.93 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.137 -0.977 . . . . 0.0 109.805 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.41 91.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -68.71 -43.46 75.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.9 m -65.06 -34.66 78.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.252 -0.905 . . . . 0.0 109.858 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -80.53 -57.22 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.9 -1.125 . . . . 0.0 110.139 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.91 -34.54 83.47 Favored Glycine 0 N--CA 1.503 3.13 0 C-N-CA 119.721 -1.228 . . . . 0.0 110.152 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.61 -49.32 16.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.546 -1.561 . . . . 0.0 109.56 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.55 -38.99 93.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -60.52 -37.95 82.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.147 -0.971 . . . . 0.0 109.544 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -57.64 -45.98 84.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.196 -0.94 . . . . 0.0 109.523 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.0 tt -92.53 56.07 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.193 -0.942 . . . . 0.0 109.353 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -170.69 -65.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.914 -1.116 . . . . 0.0 109.538 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.426 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 31.2 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.2 tt 81.38 -60.35 0.22 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.797 -0.564 . . . . 0.0 110.532 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.5 tm-20 -70.78 -49.63 14.05 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 120.674 -1.266 . . . . 0.0 109.821 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 41.3 Cg_endo -98.15 -15.04 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.849 2.366 . . . . 0.0 112.74 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.428 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 57.2 t80 -101.13 -62.06 1.29 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.201 -0.937 . . . . 0.0 111.249 -178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -54.09 -26.87 29.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.672 -1.267 . . . . 0.0 110.14 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -74.69 -17.42 16.46 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 109.232 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.3 tt -82.07 -50.62 8.88 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -57.69 -46.51 84.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.626 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.5 mt -62.31 -52.5 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 109.543 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.406 ' C ' ' O ' ' B' ' 10' ' ' ILE . 70.6 m -43.15 -51.57 5.91 Favored 'General case' 0 C--O 1.205 -1.24 0 O-C-N 119.998 -1.689 . . . . 0.0 110.958 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -53.9 -45.94 71.27 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 119.613 -0.835 . . . . 0.0 109.361 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -51.18 -44.25 61.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 0.0 109.273 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -58.58 -42.8 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.546 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -66.91 -42.02 86.11 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.365 -0.835 . . . . 0.0 109.287 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.7 m -49.39 -51.18 36.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.167 -0.958 . . . . 0.0 109.818 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -57.04 11.41 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.074 -1.016 . . . . 0.0 109.561 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.476 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.78 -47.69 30.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.231 -0.918 . . . . 0.0 109.125 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -52.62 -42.69 64.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.716 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.57 -47.33 73.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.194 -0.941 . . . . 0.0 109.687 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.78 -34.58 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.58 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.11 -37.62 38.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -73.11 -43.79 61.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 109.625 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.503 ' CG2' ' N ' ' B' ' 25' ' ' ILE . 2.5 t -63.27 -47.87 80.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.21 -0.931 . . . . 0.0 109.354 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG2' ' B' ' 24' ' ' THR . 96.7 mt -65.81 -58.34 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.2 -31.93 59.67 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -85.74 -64.16 1.2 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.643 -1.504 . . . . 0.0 108.855 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.521 HD23 ' C ' ' B' ' 28' ' ' LEU . 6.7 tt -48.0 -52.39 20.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 0.0 109.094 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -53.09 -42.14 65.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 109.281 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -55.54 -34.23 64.52 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.143 -0.973 . . . . 0.0 108.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 mt -89.0 47.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.421 -0.8 . . . . 0.0 108.979 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -101.08 -44.86 5.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.621 -0.674 . . . . 0.0 109.339 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.498 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttp . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' C' ' 2' ' ' LEU . 3.4 mm? -60.17 -83.5 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.088 -1.008 . . . . 0.0 109.03 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.569 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 2.6 tp10 -176.68 -42.56 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 120.867 -1.146 . . . . 0.0 110.083 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.569 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 91.4 Cg_endo -97.25 -73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.856 2.371 . . . . 0.0 114.065 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -80.61 -52.75 7.22 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.283 -0.886 . . . . 0.0 111.87 -177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -45.97 -47.46 16.61 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.944 -1.098 . . . . 0.0 111.057 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.4 -20.18 24.09 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.239 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.776 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.56 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.1 tt -75.19 -50.21 16.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.239 -0.913 . . . . 0.0 108.907 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -62.36 -43.99 97.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -37.13 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.089 -1.007 . . . . 0.0 109.821 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -64.7 -39.59 93.91 Favored 'General case' 0 C--O 1.208 -1.118 0 O-C-N 119.971 -1.705 . . . . 0.0 110.945 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -67.92 -36.52 80.32 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.533 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.71 -49.03 76.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.5 mt -60.34 -45.08 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.589 ' O ' HD23 ' C' ' 15' ' ' LEU . 3.8 tt -65.55 -48.71 71.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.409 -0.807 . . . . 0.0 109.166 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -43.97 -52.54 6.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.513 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.34 89.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.931 -1.106 . . . . 0.0 109.772 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 31.5 tp -52.54 -39.39 61.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 109.662 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -67.65 -58.61 4.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.215 -0.928 . . . . 0.0 110.016 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -51.53 -48.08 63.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.185 -0.947 . . . . 0.0 109.683 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mm -60.69 -63.9 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.151 -0.968 . . . . 0.0 109.657 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.31 -26.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 0.0 110.094 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -71.35 -43.2 67.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.18 -0.95 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -65.28 -35.97 82.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.198 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.652 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.6 mp -77.65 -56.2 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.776 -1.202 . . . . 0.0 109.43 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.18 -34.17 87.03 Favored Glycine 0 N--CA 1.504 3.167 0 C-N-CA 119.659 -1.258 . . . . 0.0 110.226 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -73.74 -51.43 16.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.506 -1.585 . . . . 0.0 109.499 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.36 -37.54 86.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -55.41 -38.2 68.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.039 -1.038 . . . . 0.0 109.703 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.6 -49.74 76.6 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.135 -0.978 . . . . 0.0 109.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.637 HG23 ' O ' ' C' ' 31' ' ' ILE . 11.0 tp -90.38 55.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.211 -0.931 . . . . 0.0 109.349 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -148.26 -21.99 0.34 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.01 -1.056 . . . . 0.0 109.253 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.487 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.443 ' H3 ' ' HG2' ' D' ' 1' ' ' MET . 22.5 ptm . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.813 HD22 ' N ' ' D' ' 2' ' ' LEU . 1.9 mm? -88.51 -95.16 0.1 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.207 -0.933 . . . . 0.0 109.048 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.2 tp10 179.1 -45.98 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 120.478 -1.389 . . . . 0.0 108.442 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 45.8 Cg_endo -95.64 -24.15 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.932 2.421 . . . . 0.0 112.36 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -99.25 -54.14 3.04 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.23 -0.919 . . . . 0.0 110.347 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.97 -29.92 63.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.976 -1.077 . . . . 0.0 109.869 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 10.7 tp -72.26 -17.58 18.88 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.477 HD23 ' O ' ' D' ' 8' ' ' LEU . 2.5 tt -81.47 -53.12 6.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.301 -0.874 . . . . 0.0 108.727 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 40.8 p -58.31 -42.71 87.31 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.257 -0.902 . . . . 0.0 109.24 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.43 -60.2 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 109.266 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.07 -44.22 7.35 Favored 'General case' 0 C--O 1.208 -1.087 0 O-C-N 119.889 -1.757 . . . . 0.0 110.991 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -64.39 -28.33 69.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.275 -0.891 . . . . 0.0 109.977 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -68.53 -54.92 13.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.007 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 pt -60.38 -34.35 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.558 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.521 HD23 ' O ' ' D' ' 15' ' ' LEU . 2.2 tt -74.16 -48.5 28.85 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.254 -0.904 . . . . 0.0 109.234 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 98.5 p -45.8 -49.04 15.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.137 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.22 84.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.999 -1.063 . . . . 0.0 109.591 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 tp -56.49 -50.48 71.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.968 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -66.89 -36.24 81.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.688 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.37 -49.69 71.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.2 mt -77.91 -45.72 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.235 -0.916 . . . . 0.0 109.955 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.575 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -69.92 -43.31 71.93 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.341 -0.849 . . . . 0.0 109.439 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -63.56 -33.87 76.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.223 -0.923 . . . . 0.0 110.112 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 94.2 mt -79.58 -58.27 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.882 -1.136 . . . . 0.0 109.926 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -35.5 90.75 Favored Glycine 0 N--CA 1.503 3.123 0 C-N-CA 119.752 -1.213 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -70.46 -47.57 60.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.525 -1.573 . . . . 0.0 109.332 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.64 -32.54 67.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.355 -0.841 . . . . 0.0 109.262 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -58.85 -39.79 82.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.225 -0.922 . . . . 0.0 109.379 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -58.75 -45.3 90.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.193 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -91.2 55.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.257 -0.902 . . . . 0.0 109.189 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -151.95 -74.89 0.14 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.415 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 65.2 mtp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.5 tt 84.49 -61.29 0.09 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.92 -0.488 . . . . 0.0 110.051 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.459 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.9 tt0 -66.39 -49.34 53.67 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.453 -1.404 . . . . 0.0 109.226 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.9 Cg_endo -95.98 -23.78 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.81 2.34 . . . . 0.0 112.517 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 17.8 t80 -88.54 -44.05 10.95 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.236 -0.915 . . . . 0.0 110.671 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -46.74 -51.41 16.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.779 -1.2 . . . . 0.0 110.364 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 tt -54.42 -20.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.139 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.1 tt -78.82 -46.53 18.5 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.292 -0.88 . . . . 0.0 108.842 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -62.18 -32.88 73.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 109.925 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.4 mt -71.35 -64.1 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.045 -1.035 . . . . 0.0 109.79 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.68 -42.1 11.2 Favored 'General case' 0 C--O 1.212 -0.885 0 O-C-N 120.085 -1.635 . . . . 0.0 110.952 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.9 t -63.0 -38.74 92.42 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.924 -1.11 . . . . 0.0 109.347 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.51 -49.25 64.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.337 -0.852 . . . . 0.0 109.677 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.89 -43.1 91.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.217 -0.927 . . . . 0.0 109.713 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.3 tt -71.17 -45.18 64.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.248 -0.908 . . . . 0.0 109.392 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.4 p -47.29 -45.76 24.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.085 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.06 69.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.067 -1.021 . . . . 0.0 109.762 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.0 -43.89 78.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 109.483 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.31 -36.89 80.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.205 -0.935 . . . . 0.0 110.004 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -63.9 -51.46 64.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 109.847 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.7 tt -72.52 -34.61 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 109.879 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -41.21 71.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -67.39 -43.53 81.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 m -63.21 -35.11 79.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.908 . . . . 0.0 109.816 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -81.04 -58.78 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.82 -1.175 . . . . 0.0 109.824 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.69 -35.43 62.51 Favored Glycine 0 N--CA 1.503 3.127 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -78.18 -54.64 6.01 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.536 -1.567 . . . . 0.0 109.256 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.581 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.1 tt -61.22 -52.68 63.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.862 . . . . 0.0 109.218 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -49.83 -34.56 20.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 109.601 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -62.61 -60.69 3.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.505 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 31' ' ' ILE . 14.2 tt -77.6 48.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 CA-C-O 122.166 0.984 . . . . 0.0 108.954 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.04 -54.94 2.6 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.367 -0.833 . . . . 0.0 109.327 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.519 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.506 ' CG ' ' H ' ' B' ' 3' ' ' GLU . 2.2 tp 67.89 -136.17 0.11 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.506 ' H ' ' CG ' ' B' ' 2' ' ' LEU . 0.1 OUTLIER 57.33 157.3 0.08 OUTLIER Pre-proline 0 N--CA 1.503 2.215 0 O-C-N 120.758 -1.214 . . . . 0.0 110.838 178.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -33.15 -36.44 0.08 OUTLIER 'Trans proline' 0 N--CA 1.486 1.077 0 C-N-CA 123.218 2.612 . . . . 0.0 112.176 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -59.08 -46.8 87.35 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.475 -0.766 . . . . 0.0 109.249 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 3' ' ' GLU . 7.7 tp-100 -68.57 -71.36 0.22 Allowed 'General case' 0 N--CA 1.483 1.225 0 O-C-N 120.925 -1.109 . . . . 0.0 110.628 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tt -43.9 -25.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.618 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.6 -47.22 56.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.869 -1.144 . . . . 0.0 108.705 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -64.94 -35.55 81.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mm -59.1 -56.88 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.918 . . . . 0.0 109.989 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -55.4 -41.94 73.38 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 120.237 -1.539 . . . . 0.0 110.945 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 26.2 m -64.7 -35.82 82.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -69.37 -48.82 60.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.289 -0.882 . . . . 0.0 109.519 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 93.8 mt -56.21 -35.53 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.273 -0.892 . . . . 0.0 109.617 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.4 tt -74.34 -43.9 54.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.07 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -46.96 -48.63 21.49 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.202 -0.937 . . . . 0.0 109.725 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.76 -46.23 63.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.147 -0.971 . . . . 0.0 109.29 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -49.8 -47.81 51.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.336 -0.852 . . . . 0.0 108.949 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -64.19 -36.55 84.43 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.259 -0.9 . . . . 0.0 109.67 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -60.76 -40.78 93.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.032 -1.042 . . . . 0.0 109.671 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.1 mm -78.23 -52.75 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.211 -0.931 . . . . 0.0 109.934 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CE2' ' C' ' 23' ' ' TRP . . . -59.69 -45.35 92.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.0 109.876 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -62.84 -44.41 96.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.285 -0.885 . . . . 0.0 109.89 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 46.3 m -65.06 -34.88 79.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 0.0 110.145 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.78 -55.45 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.906 -1.121 . . . . 0.0 109.962 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -35.07 91.33 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.661 -1.257 . . . . 0.0 110.219 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.79 -46.92 50.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.49 -1.594 . . . . 0.0 109.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -63.94 -36.98 85.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 0.0 109.075 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -55.51 -40.3 71.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.351 -0.843 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -56.39 -52.82 63.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.527 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.433 HG23 ' O ' ' B' ' 31' ' ' ILE . 10.4 tt -87.44 55.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.225 -0.922 . . . . 0.0 109.163 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.9 tptt -163.49 -67.18 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.943 -1.098 . . . . 0.0 109.275 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.416 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.263 0.554 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.476 ' H ' HD22 ' C' ' 2' ' ' LEU . 0.8 OUTLIER -85.88 -120.17 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.859 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 3.7 pm0 -170.03 -23.33 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.451 0 O-C-N 120.485 -1.384 . . . . 0.0 111.758 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.859 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 35.3 Cg_endo -98.55 -51.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 0 C-N-CA 121.613 1.542 . . . . 0.0 111.668 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.426 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 43.3 t80 -90.7 -46.58 8.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.468 -0.77 . . . . 0.0 109.888 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -47.5 -39.26 15.65 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.168 -0.957 . . . . 0.0 110.619 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 11.0 tt -66.83 -21.05 27.91 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 O-C-N 121.86 -0.525 . . . . 0.0 110.196 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.515 HD23 ' O ' ' C' ' 8' ' ' LEU . 2.3 tt -79.2 -45.94 18.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.272 -0.893 . . . . 0.0 108.633 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 31.2 t -60.27 -33.84 72.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.576 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.86 -66.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 109.996 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 97.2 p -43.8 -37.51 2.78 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.933 -1.729 . . . . 0.0 110.982 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t -65.84 -40.21 91.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.488 -1.383 . . . . 0.0 109.034 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.09 -38.64 76.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.362 -0.836 . . . . 0.0 109.11 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -62.11 -48.79 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -0.868 . . . . 0.0 109.133 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.55 -27.15 68.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.472 -0.768 . . . . 0.0 109.912 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.5 m -67.11 -49.48 64.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -42.29 76.61 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.103 -0.998 . . . . 0.0 109.395 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -59.81 -39.55 85.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -61.87 -48.92 78.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.39 -0.819 . . . . 0.0 109.725 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -52.78 -55.66 21.26 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.218 -0.926 . . . . 0.0 109.576 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -63.42 -47.5 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.655 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -34.2 61.65 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.942 . . . . 0.0 109.506 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . 0.408 ' CE2' ' HB1' ' B' ' 22' ' ' ALA . 65.8 t-105 -66.48 -44.62 82.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.18 -0.95 . . . . 0.0 109.384 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -66.93 -33.07 74.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.161 -0.962 . . . . 0.0 109.792 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.3 mt -76.05 -57.11 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.93 -1.106 . . . . 0.0 109.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.4 -35.57 92.11 Favored Glycine 0 N--CA 1.502 3.042 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.112 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -70.0 -44.79 68.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.476 -1.602 . . . . 0.0 109.079 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.22 -36.28 83.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 109.023 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -57.83 -36.37 72.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.912 . . . . 0.0 109.403 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -57.91 -48.92 78.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.246 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.499 HG23 ' O ' ' C' ' 31' ' ' ILE . 13.7 tt -92.43 58.84 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.303 -0.873 . . . . 0.0 109.13 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -158.62 -65.65 0.08 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.886 -1.134 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.533 -179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.467 ' H2 ' ' HB2' ' D' ' 6' ' ' GLN . 60.3 mtt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.825 HD22 ' N ' ' D' ' 2' ' ' LEU . 1.7 mm? -89.29 -86.09 0.19 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.117 -0.989 . . . . 0.0 109.177 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.6 mt-10 171.37 -51.15 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.675 0 O-C-N 120.712 -1.243 . . . . 0.0 108.292 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 43.7 Cg_endo -89.56 -31.81 0.13 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -91.62 -55.37 3.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . 0.467 ' HB2' ' H2 ' ' D' ' 1' ' ' MET . 34.1 tt0 -52.64 -34.09 49.82 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 110.312 -178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.9 tt -72.79 -16.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.219 0 C-N-CA 120.069 -0.653 . . . . 0.0 109.38 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.438 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.1 tt -80.05 -53.02 7.1 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.7 t -59.95 -44.44 94.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.0 109.542 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.32 -36.97 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.1 m -62.19 -38.84 90.64 Favored 'General case' 0 C--O 1.208 -1.112 0 O-C-N 119.939 -1.726 . . . . 0.0 110.934 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.4 t -66.49 -33.99 76.92 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.799 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -65.96 -60.03 3.25 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 0.0 110.121 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . 0.54 HD13 ' O ' ' D' ' 14' ' ' ILE . 0.2 OUTLIER -54.85 -43.59 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.29 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.2 tt -65.5 -42.72 91.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.078 -1.014 . . . . 0.0 109.425 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -48.41 -53.81 16.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.17 80.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.105 -0.997 . . . . 0.0 109.737 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 tp -51.24 -45.46 61.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.186 -0.946 . . . . 0.0 109.319 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -68.69 -37.89 79.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.38 -55.89 15.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.931 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.463 HG23 ' N ' ' D' ' 22' ' ' ALA . 20.5 tt -64.65 -39.38 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.162 -0.961 . . . . 0.0 109.763 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.463 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -62.92 -43.98 97.32 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.193 -0.942 . . . . 0.0 109.516 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -60.16 -43.69 95.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.205 -0.935 . . . . 0.0 109.463 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 45.4 m -66.04 -34.38 77.95 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 0.0 109.87 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.11 -57.07 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.812 -1.18 . . . . 0.0 109.808 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.54 -34.35 88.1 Favored Glycine 0 N--CA 1.503 3.12 0 C-N-CA 119.614 -1.279 . . . . 0.0 110.106 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -75.49 -52.62 10.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.5 -1.588 . . . . 0.0 109.332 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.05 -41.36 96.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -0.839 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -58.79 -41.86 87.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.154 -0.966 . . . . 0.0 109.493 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -54.48 -45.76 73.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.227 -0.921 . . . . 0.0 109.313 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 20.4 pt -90.87 55.26 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.256 -0.903 . . . . 0.0 109.519 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -155.92 -40.03 0.08 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.379 -0.826 . . . . 0.0 109.392 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.334 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' H ' ' HB3' ' A' ' 6' ' ' GLN . 52.3 tp -80.41 -52.92 7.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.214 -0.929 . . . . 0.0 109.063 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' A' ' 5' ' ' PHE . 10.8 pt-20 -170.09 -175.1 0.33 Allowed Pre-proline 0 C--N 1.297 -1.7 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -53.95 6.61 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.605 0 CA-C-N 120.709 1.289 . . . . 0.0 112.203 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.581 ' H ' ' C ' ' A' ' 3' ' ' GLU . 18.6 t80 -103.09 -71.91 0.71 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 5.3 tp-100 -55.48 -40.65 71.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.788 -1.195 . . . . 0.0 109.769 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 3' ' ' GLU . 11.3 tt -63.44 -20.75 26.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.225 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.279 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -78.54 -37.32 43.18 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 108.917 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -64.53 -48.62 74.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.886 . . . . 0.0 110.021 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 pt -77.27 -24.81 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 110.267 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 t -78.38 -48.03 16.4 Favored 'General case' 0 C--O 1.203 -1.382 0 O-C-N 119.772 -1.83 . . . . 0.0 110.992 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 t -67.74 -25.24 65.54 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.238 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -72.05 -60.93 1.98 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.567 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.5 tt -55.1 -35.74 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.089 -1.007 . . . . 0.0 109.159 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.2 tt -73.16 -40.21 65.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 0.0 108.862 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.8 t -48.65 -47.34 40.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.18 -53.12 33.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.226 -0.921 . . . . 0.0 109.384 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 tp -49.11 -45.3 43.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.303 -0.873 . . . . 0.0 109.292 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -62.8 -33.05 74.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.681 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -67.13 -51.01 59.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.901 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.41 -29.39 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.951 . . . . 0.0 109.66 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -31.51 72.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.152 -0.967 . . . . 0.0 109.4 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -77.36 -46.23 23.5 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.904 . . . . 0.0 109.689 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.1 m -68.47 -34.65 76.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.181 -0.949 . . . . 0.0 109.866 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.39 -53.95 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.887 -1.133 . . . . 0.0 109.685 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.5 -33.93 88.58 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -76.73 -51.95 10.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.698 -1.472 . . . . 0.0 109.031 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.9 tt -63.65 -49.44 73.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.025 179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -54.1 -34.43 60.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.149 -0.969 . . . . 0.0 109.534 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -59.94 -50.88 72.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.556 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -89.48 55.47 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 CA-C-O 122.028 0.918 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -162.31 -76.37 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.946 -1.096 . . . . 0.0 109.434 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.499 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 39.8 ttm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.487 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 2.6 tt 81.72 -57.26 0.25 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.765 -0.585 . . . . 0.0 109.989 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.8 mt-10 -69.11 -49.42 24.75 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 120.463 -1.398 . . . . 0.0 109.412 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 36.9 Cg_endo -96.2 -21.68 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.849 2.366 . . . . 0.0 112.588 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.487 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 45.6 t80 -91.71 -43.31 9.65 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 111.1 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -45.4 -64.19 0.78 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.925 -1.109 . . . . 0.0 110.387 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 tt -49.49 -21.39 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.508 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.8 tt -72.29 -53.83 11.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.877 -1.139 . . . . 0.0 108.564 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.9 t -53.12 -38.27 62.5 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.275 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.1 -57.54 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.166 -0.959 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.29 -43.29 7.29 Favored 'General case' 0 C--N 1.312 -1.049 0 O-C-N 120.241 -1.537 . . . . 0.0 110.963 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 10.8 t -67.18 -42.9 83.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.663 -1.273 . . . . 0.0 109.577 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.58 -48.58 78.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.34 -40.92 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.177 -0.952 . . . . 0.0 109.242 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 tp -68.58 -34.78 76.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 0.0 109.604 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -57.37 -52.18 66.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.084 -1.01 . . . . 0.0 109.555 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.61 -55.06 11.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 109.31 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.51 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.1 -40.74 24.31 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 108.95 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -60.61 -45.32 94.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -65.59 -52.7 50.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.876 . . . . 0.0 109.764 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mm -60.52 -38.72 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.237 -0.914 . . . . 0.0 109.582 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.31 -49.65 68.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 109.721 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -62.05 -44.15 97.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.129 -0.982 . . . . 0.0 109.541 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.3 m -59.86 -34.27 72.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.967 . . . . 0.0 109.859 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -85.45 -60.52 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.912 -1.118 . . . . 0.0 110.308 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -34.58 58.39 Favored Glycine 0 N--CA 1.505 3.275 0 C-N-CA 119.933 -1.127 . . . . 0.0 110.67 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -56.08 -41.18 74.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.396 -1.65 . . . . 0.0 109.515 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -50.92 -40.56 57.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.176 -0.952 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.588 HD22 ' N ' ' B' ' 29' ' ' ASN . 1.7 m120 -51.76 -45.78 63.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -0.94 . . . . 0.0 109.173 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -57.63 -34.46 69.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.287 -0.883 . . . . 0.0 108.732 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -90.74 49.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.435 -0.791 . . . . 0.0 109.064 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -158.9 -72.85 0.08 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.464 -0.772 . . . . 0.0 109.454 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.498 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.6 ttm . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.447 0.641 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.645 HD23 ' H ' ' C' ' 2' ' ' LEU . 0.2 OUTLIER -150.45 -136.33 0.07 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.265 -0.897 . . . . 0.0 108.633 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.48 ' H ' ' HD2' ' C' ' 4' ' ' PRO . 14.0 mt-10 -137.85 -65.61 0.02 OUTLIER Pre-proline 0 N--CA 1.5 2.057 0 O-C-N 120.145 -1.597 . . . . 0.0 109.719 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.48 ' HD2' ' H ' ' C' ' 3' ' ' GLU . 80.8 Cg_exo -31.43 -56.3 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.265 0 C-N-CA 122.427 2.084 . . . . 0.0 113.225 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' C' ' 5' ' ' PHE . 84.3 t80 -92.86 -1.29 56.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.136 -0.978 . . . . 0.0 110.462 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' C' ' 3' ' ' GLU . 30.0 tp60 -73.4 -40.9 63.94 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.685 -1.259 . . . . 0.0 110.788 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.7 tp -71.27 -23.7 23.36 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.095 0 O-C-N 121.674 -0.641 . . . . 0.0 110.146 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.0 OUTLIER -76.36 -43.2 41.89 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.896 -1.127 . . . . 0.0 108.456 179.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 20.0 p -64.96 -43.84 91.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.215 -0.928 . . . . 0.0 109.488 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.3 -61.88 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 0.0 109.722 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.43 -42.54 7.08 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 120.001 -1.687 . . . . 0.0 110.967 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -62.19 -46.35 89.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.682 -1.261 . . . . 0.0 109.509 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.86 -43.76 97.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.667 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 5.7 mm -65.51 -40.69 88.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 110.168 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.3 tt -70.25 -31.95 69.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.144 -0.973 . . . . 0.0 109.616 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -62.58 -54.21 43.08 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.856 -1.153 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -31.89 72.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.951 -1.093 . . . . 0.0 109.526 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.81 -33.49 75.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -72.63 -40.74 66.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.913 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.86 -57.38 10.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.135 -0.978 . . . . 0.0 109.715 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.466 HG23 ' N ' ' C' ' 22' ' ' ALA . 18.1 tt -56.66 -38.48 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.155 -0.965 . . . . 0.0 109.662 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.466 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -71.19 -35.95 71.77 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.152 -0.968 . . . . 0.0 109.477 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -68.54 -43.02 77.61 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.245 -0.909 . . . . 0.0 109.453 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 99.3 m -67.57 -33.72 75.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 0.0 110.023 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -77.92 -55.03 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.807 -1.183 . . . . 0.0 109.843 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.55 -34.36 89.7 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.05 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -72.5 -46.44 54.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.575 -1.544 . . . . 0.0 109.314 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.08 -34.35 70.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.283 -0.886 . . . . 0.0 109.215 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.9 -37.58 88.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.085 -1.01 . . . . 0.0 109.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -53.14 -38.21 62.51 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.473 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.35 51.41 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 CA-C-O 122.315 1.055 . . . . 0.0 108.825 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -156.97 -73.8 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.022 -1.049 . . . . 0.0 109.185 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.504 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.508 ' O ' ' N ' ' D' ' 3' ' ' GLU . 48.8 ttp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' D' ' 3' ' ' GLU . 6.7 tt 62.81 -65.58 0.09 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.726 -0.609 . . . . 0.0 110.312 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.799 ' O ' ' N ' ' D' ' 5' ' ' PHE . 12.6 mt-10 -46.8 160.83 0.31 Allowed Pre-proline 0 N--CA 1.497 1.894 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' D' ' 3' ' ' GLU . 27.0 Cg_exo -11.91 57.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.485 0.994 0 C-N-CA 125.02 3.813 . . . . 0.0 114.176 -177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.799 ' N ' ' O ' ' D' ' 3' ' ' GLU . 15.3 t80 -151.65 -66.43 0.18 Allowed 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.74 -34.1 69.24 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.966 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -66.68 -23.83 31.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.58 -44.12 29.46 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.179 -0.95 . . . . 0.0 108.565 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -53.34 -43.02 67.35 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.409 -0.807 . . . . 0.0 109.175 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -64.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.77 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.7 -46.37 10.29 Favored 'General case' 0 C--O 1.211 -0.934 0 O-C-N 120.043 -1.661 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -65.34 -35.33 80.66 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.865 -1.147 . . . . 0.0 109.045 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -60.77 -42.81 98.22 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.39 -0.819 . . . . 0.0 109.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.1 mm -61.8 -44.52 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.233 -0.917 . . . . 0.0 109.356 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.5 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.8 tt -69.59 -46.41 66.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.414 -0.804 . . . . 0.0 109.359 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.2 m -46.58 -46.8 19.76 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.16 -0.963 . . . . 0.0 109.931 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.29 65.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.138 -0.976 . . . . 0.0 109.375 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.465 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -58.93 -51.97 67.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 0.0 109.173 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -67.51 -30.56 70.26 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.718 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -58.26 -43.24 87.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.931 . . . . 0.0 109.606 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -80.04 -49.17 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.208 -0.932 . . . . 0.0 109.955 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.64 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 109.774 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -69.83 -42.97 72.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.225 -0.922 . . . . 0.0 109.657 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -65.72 -35.9 82.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.0 109.964 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 95.4 mt -79.86 -55.89 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.783 -1.198 . . . . 0.0 109.824 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -34.29 76.58 Favored Glycine 0 N--CA 1.503 3.125 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -78.45 -52.89 7.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.653 -1.499 . . . . 0.0 109.254 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.581 HD23 ' C ' ' D' ' 28' ' ' LEU . 7.2 tt -63.05 -51.57 66.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.341 -0.849 . . . . 0.0 109.242 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -51.99 -34.85 44.47 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.163 -0.96 . . . . 0.0 109.578 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -62.17 -57.43 11.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.203 -0.935 . . . . 0.0 109.537 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.457 HG23 ' O ' ' D' ' 31' ' ' ILE . 15.3 tt -79.01 48.13 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.159 -0.963 . . . . 0.0 109.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -100.57 -42.16 6.67 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.382 -0.824 . . . . 0.0 109.18 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.451 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 6.4 ptt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 1' ' ' MET . 3.5 tt 86.57 -62.41 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 122.054 -0.404 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.9 tt0 -67.73 -48.56 41.84 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 120.447 -1.408 . . . . 0.0 109.281 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -95.1 -26.43 0.11 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.921 2.414 . . . . 0.0 112.632 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 23.8 t80 -85.91 -46.64 10.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.117 -0.989 . . . . 0.0 110.789 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -45.31 -59.98 2.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.971 -1.08 . . . . 0.0 110.374 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 tt -51.68 -20.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 O-C-N 121.943 -0.473 . . . . 0.0 110.154 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.6 tt -73.42 -47.39 42.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.973 -1.08 . . . . 0.0 108.162 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.45 -37.3 77.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 109.298 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -59.2 -62.19 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.274 -0.891 . . . . 0.0 109.563 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.26 -45.08 5.67 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 120.339 -1.476 . . . . 0.0 110.972 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -62.0 -37.53 85.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.627 -1.296 . . . . 0.0 109.331 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.75 -45.89 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 0.0 109.277 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.44 -32.99 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.879 . . . . 0.0 109.426 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -77.3 -38.59 50.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.339 -0.85 . . . . 0.0 109.565 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -59.96 -49.98 75.55 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 109.995 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.48 54.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.444 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 tp -54.47 -49.88 69.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 109.154 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.87 -40.19 94.52 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.612 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.92 -52.21 66.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.128 -0.982 . . . . 0.0 109.634 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.84 -38.79 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -0.885 . . . . 0.0 109.9 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.224 -0.922 . . . . 0.0 109.699 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -74.68 -43.96 52.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.191 -0.943 . . . . 0.0 109.482 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -67.51 -33.82 75.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.227 -0.92 . . . . 0.0 110.107 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.422 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 95.7 mt -77.33 -54.29 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.904 -1.123 . . . . 0.0 109.972 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.64 -33.91 87.47 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.64 -1.267 . . . . 0.0 109.979 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -73.01 -48.29 37.57 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.575 -1.544 . . . . 0.0 109.265 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.98 -40.3 95.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.337 -0.852 . . . . 0.0 109.41 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 25' ' ' ILE . 21.1 m120 -58.22 -33.72 69.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.218 -0.926 . . . . 0.0 109.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -60.06 -47.52 85.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.2 tt -92.79 57.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' O ' ' OXT' ' A' ' 33' ' ' ARG . 83.9 tttt -159.4 -53.23 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 109.5 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' OXT' ' O ' ' A' ' 32' ' ' LYS . 17.9 tpt180 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.396 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' B' ' 2' ' ' LEU . 0.1 OUTLIER -152.68 -130.45 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.139 -0.976 . . . . 0.0 109.545 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' H ' ' HG ' ' B' ' 2' ' ' LEU . 16.0 tt0 -145.8 -59.69 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 120.188 -1.57 . . . . 0.0 110.98 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.534 ' HD2' ' H ' ' B' ' 3' ' ' GLU . 8.5 Cg_endo -48.39 -62.67 0.4 Allowed 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.482 1.454 . . . . 0.0 112.434 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' B' ' 5' ' ' PHE . 66.1 t80 -76.52 1.93 15.26 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.239 -0.913 . . . . 0.0 110.132 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -74.63 -29.86 61.44 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.996 -1.065 . . . . 0.0 110.912 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 10.5 tp -76.66 -26.33 16.44 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 121.426 -0.796 . . . . 0.0 110.125 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.486 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.7 tt -76.72 -41.37 45.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.915 -1.116 . . . . 0.0 108.105 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -60.12 -45.16 93.92 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 0.0 109.845 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' B' ' 11' ' ' SER . 96.7 mt -64.07 -61.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.092 -1.005 . . . . 0.0 110.387 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.428 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.1 m -41.03 -46.37 2.86 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 120.009 -1.682 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -63.75 -34.45 77.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.493 -1.38 . . . . 0.0 109.579 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 10' ' ' ILE . 83.3 t80 -64.09 -57.2 10.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.359 -0.838 . . . . 0.0 110.251 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 pt -61.19 -36.33 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.139 -0.976 . . . . 0.0 110.109 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -70.13 -46.49 64.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.201 -0.937 . . . . 0.0 109.47 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.9 t -50.01 -54.0 23.03 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.943 . . . . 0.0 110.194 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.61 97.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.921 -1.112 . . . . 0.0 109.578 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.474 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -53.4 -48.05 69.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.187 -0.945 . . . . 0.0 108.669 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -66.55 -52.02 50.12 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.0 109.486 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -48.27 -44.41 33.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.013 -1.054 . . . . 0.0 109.739 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mm -77.02 -63.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.435 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.41 -26.31 0.53 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 110.343 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -81.03 -45.7 16.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.163 -0.961 . . . . 0.0 109.668 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' B' ' 28' ' ' LEU . 53.6 m -66.61 -41.08 88.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.105 -0.997 . . . . 0.0 110.424 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.8 mp -79.11 -43.97 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.463 -1.398 . . . . 0.0 109.544 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -23.71 70.81 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -60.57 -69.73 0.21 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.679 -1.483 . . . . 0.0 110.714 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.996 ' H ' HD13 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -60.65 -7.02 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.853 -1.155 . . . . 0.0 111.142 -178.086 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.636 ' N ' HD22 ' B' ' 28' ' ' LEU . 14.4 m120 -77.82 -53.02 7.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.849 -1.157 . . . . 0.0 109.012 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.501 ' NE2' ' OE1' ' C' ' 30' ' ' GLN . 98.4 mm-40 -56.35 -28.49 59.21 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.987 -1.071 . . . . 0.0 108.27 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.9 mt -94.78 49.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.501 -0.75 . . . . 0.0 109.008 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -157.94 -4.81 0.09 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.766 . . . . 0.0 109.484 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.484 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 64.6 mtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.471 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.0 tp 79.93 -61.01 0.3 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.601 -0.687 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 16.3 tt0 -61.82 -38.6 51.54 Favored Pre-proline 0 C--N 1.3 -1.574 0 O-C-N 120.756 -1.215 . . . . 0.0 110.353 -178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 35.6 Cg_exo -60.77 -73.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.019 1.813 . . . . 0.0 112.177 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -151.82 9.69 0.53 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.812 -1.18 . . . . 0.0 112.135 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -55.91 6.32 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 119.57 -1.956 . . . . 0.0 110.924 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.9 -23.85 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.97 -1.081 . . . . 0.0 109.774 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' C' ' 8' ' ' LEU . 0.7 OUTLIER -66.13 -42.1 89.57 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -68.54 -43.59 76.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.646 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.51 -50.4 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.0 -1.063 . . . . 0.0 110.12 -178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.9 m -56.98 -47.63 80.32 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 119.804 -1.81 . . . . 0.0 110.979 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -64.09 -29.34 70.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.876 -1.14 . . . . 0.0 109.139 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.78 -52.8 15.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.578 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.42 -32.93 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.544 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.98 -36.93 56.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.24 -0.913 . . . . 0.0 109.695 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.1 m -61.83 -50.78 70.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.032 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -42.59 74.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.065 -1.022 . . . . 0.0 109.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.88 -36.48 83.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.404 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.07 -46.96 75.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 0.0 109.993 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.42 -56.35 22.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.088 -1.008 . . . . 0.0 109.724 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.38 -57.5 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.168 -0.958 . . . . 0.0 109.607 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.4 -33.7 2.7 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.224 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.8 t-105 -74.75 -44.16 51.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.141 -0.974 . . . . 0.0 109.996 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 59.0 m -62.32 -35.92 80.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 0.0 110.179 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.55 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -82.01 -58.0 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.722 -1.236 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.31 -35.64 61.09 Favored Glycine 0 N--CA 1.504 3.19 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.096 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -72.25 -47.43 50.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.526 -1.573 . . . . 0.0 109.105 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.63 -35.77 68.71 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.183 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.01 -34.12 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 109.674 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . 0.501 ' OE1' ' NE2' ' B' ' 30' ' ' GLN . 89.6 mt-30 -64.78 -50.48 66.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.965 . . . . 0.0 109.686 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.542 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.7 tp -84.76 48.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.067 -1.021 . . . . 0.0 108.965 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -100.46 -43.55 6.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.418 -0.801 . . . . 0.0 109.017 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . 0.661 ' NH2' HH22 ' D' ' 33' ' ' ARG . 95.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.461 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.804 HD22 ' N ' ' D' ' 2' ' ' LEU . 1.7 mm? -84.62 -121.2 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 108.576 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.759 ' H ' ' CD ' ' D' ' 4' ' ' PRO . 2.3 mt-10 -146.55 -42.12 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.219 -1.551 . . . . 0.0 109.965 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.759 ' CD ' ' H ' ' D' ' 3' ' ' GLU . 87.3 Cg_endo -97.3 -53.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 122.774 2.316 . . . . 0.0 112.606 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -68.81 -48.86 62.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.163 -0.961 . . . . 0.0 110.017 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' D' ' 8' ' ' LEU . 55.3 tp60 -51.18 -71.65 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.126 -0.984 . . . . 0.0 109.981 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 7.9 tp -41.65 -21.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.507 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' D' ' 6' ' ' GLN . 3.3 tt -75.04 -53.31 9.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.894 -1.129 . . . . 0.0 108.474 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -55.95 -36.47 67.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.258 -0.901 . . . . 0.0 109.259 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' D' ' 11' ' ' SER . 18.2 mm -60.63 -56.41 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.109 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.4 m -42.18 -51.16 4.76 Favored 'General case' 0 C--O 1.206 -1.207 0 O-C-N 120.04 -1.662 . . . . 0.0 110.973 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -55.7 -44.36 77.32 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.456 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.59 -34.79 65.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -0.925 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.77 -53.5 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 109.522 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.551 ' N ' HD12 ' D' ' 15' ' ' LEU . 10.1 mp -62.06 -30.31 70.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.208 -0.932 . . . . 0.0 109.441 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -60.16 -46.95 87.93 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.0 109.825 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.96 -48.37 53.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.1 -1.0 . . . . 0.0 109.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -57.28 -47.5 81.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.383 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -63.97 -40.64 96.85 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -0.907 . . . . 0.0 109.833 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.27 -51.72 65.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 0.0 109.821 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.1 -43.16 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.206 -0.934 . . . . 0.0 109.946 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.3 69.89 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 109.594 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -73.0 -43.76 61.8 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 0.0 109.417 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 43.3 m -64.46 -34.99 79.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.261 -0.9 . . . . 0.0 109.816 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -77.26 -58.95 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 120.904 -1.123 . . . . 0.0 109.791 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.42 -35.52 79.77 Favored Glycine 0 N--CA 1.503 3.111 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -69.8 -46.62 65.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.648 -1.501 . . . . 0.0 109.123 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.43 -37.87 88.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.357 -0.839 . . . . 0.0 109.227 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -58.34 -37.35 74.97 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.216 -0.928 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.78 -46.35 89.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.0 109.318 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 pt -87.99 51.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.261 -0.899 . . . . 0.0 109.109 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -108.33 -45.57 3.88 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . 0.661 HH22 ' NH2' ' C' ' 33' ' ' ARG . 80.2 mtm180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.424 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 56.3 mtt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 85.2 -61.49 0.07 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 122.018 -0.426 . . . . 0.0 110.538 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.1 mm-40 -75.02 -43.66 4.67 Favored Pre-proline 0 N--CA 1.494 1.741 0 O-C-N 120.622 -1.298 . . . . 0.0 110.036 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 64.3 Cg_endo -101.79 -7.53 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 123.256 2.637 . . . . 0.0 112.585 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 36.2 t80 -111.99 -63.36 1.43 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.38 -0.825 . . . . 0.0 110.597 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -54.07 -24.51 17.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.804 -1.185 . . . . 0.0 109.753 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 tt -73.2 -23.05 19.7 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.978 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.302 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.31 -44.4 21.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.194 -0.941 . . . . 0.0 108.556 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.0 p -57.92 -41.96 83.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.379 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.97 -65.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.231 -0.918 . . . . 0.0 109.626 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -46.1 -45.19 16.21 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 119.986 -1.697 . . . . 0.0 110.958 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.0 t -68.75 -21.1 64.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.744 -1.222 . . . . 0.0 109.688 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -80.6 -58.43 3.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.208 -0.933 . . . . 0.0 109.877 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tt -53.75 -36.48 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 120.997 -1.065 . . . . 0.0 109.542 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.17 -35.52 66.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.054 . . . . 0.0 109.406 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -55.92 -49.14 74.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.196 -0.94 . . . . 0.0 109.575 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.26 91.54 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.121 -0.987 . . . . 0.0 109.162 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -51.49 -50.3 60.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.368 -0.832 . . . . 0.0 109.144 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -66.28 -30.95 71.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 109.798 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -62.57 -48.06 81.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.95 . . . . 0.0 109.939 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -75.49 -29.92 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.069 -1.019 . . . . 0.0 109.636 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.46 78.36 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.057 -1.027 . . . . 0.0 109.359 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -75.97 -48.31 21.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.287 -0.883 . . . . 0.0 109.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -65.37 -34.49 78.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.119 -0.988 . . . . 0.0 110.327 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.54 -53.33 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.794 -1.191 . . . . 0.0 109.93 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.68 -33.51 84.61 Favored Glycine 0 N--CA 1.503 3.138 0 C-N-CA 119.647 -1.263 . . . . 0.0 109.985 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -72.21 -45.24 61.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.551 -1.558 . . . . 0.0 109.1 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.03 -36.21 74.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.352 -0.843 . . . . 0.0 109.196 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.82 -33.78 72.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -61.17 -46.0 92.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.913 . . . . 0.0 109.554 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.6 tt -92.63 55.48 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -157.66 -67.69 0.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.924 -1.11 . . . . 0.0 109.369 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.479 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 64.7 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.495 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 3.1 tt 85.42 -62.08 0.06 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.999 -0.438 . . . . 0.0 110.041 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.8 mt-10 -65.29 -49.28 65.58 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 120.526 -1.359 . . . . 0.0 109.138 -179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 36.0 Cg_endo -95.39 -33.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.866 2.378 . . . . 0.0 112.467 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.495 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 41.3 t80 -76.28 -47.03 25.21 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.194 -0.942 . . . . 0.0 110.882 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' B' ' 8' ' ' LEU . 1.6 tp-100 -47.02 -66.76 0.36 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.875 -1.14 . . . . 0.0 110.005 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -45.01 -21.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.425 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.6 tt -75.06 -50.16 17.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.85 -1.156 . . . . 0.0 108.499 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 52.0 p -57.64 -35.05 69.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.861 . . . . 0.0 109.319 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mm -61.91 -54.53 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -44.83 -48.16 11.03 Favored 'General case' 0 C--O 1.205 -1.272 0 O-C-N 120.041 -1.662 . . . . 0.0 110.978 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.5 t -57.92 -45.23 86.84 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.607 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -63.55 -48.45 77.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.687 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.41 -43.52 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.252 -0.905 . . . . 0.0 109.744 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 tp -67.33 -34.73 77.95 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 109.653 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -59.29 -56.93 15.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.189 -0.944 . . . . 0.0 109.914 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.17 -25.62 68.43 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.144 -0.973 . . . . 0.0 109.598 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.431 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -61.53 -56.52 19.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.92 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.607 ' ND1' ' N ' ' B' ' 20' ' ' PHE . 4.1 p80 -65.4 -29.12 69.79 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.015 -1.053 . . . . 0.0 109.85 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.607 ' N ' ' ND1' ' B' ' 19' ' ' HIS . 83.9 t80 -58.51 -45.76 88.12 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.963 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 pt -78.75 -37.54 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.69 67.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.096 -1.002 . . . . 0.0 109.407 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -81.98 -55.14 4.77 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.0 m -62.9 -34.56 77.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.024 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -72.75 -54.3 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.899 -1.125 . . . . 0.0 109.73 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -30.18 76.71 Favored Glycine 0 N--CA 1.502 3.045 0 C-N-CA 119.733 -1.222 . . . . 0.0 110.059 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -53.72 -41.2 66.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.534 -1.568 . . . . 0.0 109.407 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.25 -48.09 54.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -52.58 -41.73 63.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.187 -0.945 . . . . 0.0 109.03 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -57.86 -35.48 71.0 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 mt -87.98 48.48 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.386 -0.821 . . . . 0.0 108.951 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -169.76 42.06 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.581 -0.699 . . . . 0.0 109.251 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.457 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 59.7 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.8 tt 84.17 -61.86 0.1 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.915 -0.491 . . . . 0.0 110.083 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.7 mt-10 -69.85 -43.15 19.95 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 120.482 -1.386 . . . . 0.0 109.992 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 68.1 Cg_endo -101.38 -7.01 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 123.202 2.601 . . . . 0.0 112.474 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.423 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 30.4 t80 -112.62 -37.86 4.78 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.421 -0.8 . . . . 0.0 110.723 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -47.63 -54.68 11.22 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.724 -1.235 . . . . 0.0 110.094 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.47 ' O ' ' OG ' ' C' ' 11' ' ' SER . 20.4 tt -51.74 -18.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 O-C-N 121.845 -0.535 . . . . 0.0 109.825 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.436 ' C ' HD23 ' C' ' 8' ' ' LEU . 5.6 tt -80.82 -51.81 8.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.155 -0.966 . . . . 0.0 108.75 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -59.59 -48.58 81.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.218 -0.926 . . . . 0.0 109.711 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.589 ' N ' HD12 ' C' ' 10' ' ' ILE . 1.5 mp -66.3 -56.21 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.166 -0.959 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' C' ' 7' ' ' ILE . 75.1 m -41.06 -52.31 3.22 Favored 'General case' 0 C--O 1.209 -1.062 0 O-C-N 119.961 -1.712 . . . . 0.0 110.964 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -57.77 -40.64 80.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.244 -0.91 . . . . 0.0 109.63 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' C' ' 13' ' ' PHE . 33.3 t80 -65.42 -50.02 67.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.321 -0.862 . . . . 0.0 109.855 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.98 -38.14 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.241 -0.912 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.543 ' O ' HD23 ' C' ' 15' ' ' LEU . 0.9 OUTLIER -72.49 -41.02 66.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.192 -0.943 . . . . 0.0 109.453 -179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 97.9 p -51.82 -49.47 62.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.105 -0.997 . . . . 0.0 110.003 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.64 84.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.166 -0.959 . . . . 0.0 109.776 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 19.3 tp -55.86 -50.02 71.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.251 -0.905 . . . . 0.0 109.443 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.66 -45.91 87.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.18 -0.95 . . . . 0.0 109.686 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -48.6 -53.33 18.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.925 . . . . 0.0 109.742 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -69.53 -59.86 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.138 -0.976 . . . . 0.0 109.496 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.27 -27.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.3 -0.875 . . . . 0.0 110.21 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -77.36 -45.58 25.57 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -0.953 . . . . 0.0 109.764 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 73.0 m -59.29 -36.61 75.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.926 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.645 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.7 mp -83.33 -60.03 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.729 -1.232 . . . . 0.0 109.41 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.11 -34.94 32.63 Favored Glycine 0 N--CA 1.504 3.18 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.136 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -81.65 -58.61 2.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.547 -1.56 . . . . 0.0 109.318 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.538 HD23 ' C ' ' C' ' 28' ' ' LEU . 6.9 tt -56.86 -51.57 68.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.207 -0.933 . . . . 0.0 109.046 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' C' ' 29' ' ' ASN . 47.6 t-20 -52.46 -33.81 46.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -63.57 -55.76 21.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 109.612 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.467 HG23 ' O ' ' C' ' 31' ' ' ILE . 14.6 tt -80.43 48.35 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.061 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -101.22 -44.34 5.7 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.159 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.513 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.847 HD13 ' N ' ' D' ' 2' ' ' LEU . 0.0 OUTLIER -86.24 -90.31 0.11 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.07 -1.019 . . . . 0.0 109.727 -179.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.574 ' H ' HD23 ' D' ' 2' ' ' LEU . 0.2 OUTLIER -173.39 -60.35 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 120.86 -1.15 . . . . 0.0 110.099 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -65.7 -58.91 0.16 Allowed 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 121.577 1.518 . . . . 0.0 112.269 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -69.72 -19.48 63.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.3 -0.875 . . . . 0.0 110.06 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -46.65 -74.2 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 122.372 1.082 . . . . 0.0 110.61 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.1 tt -58.63 -19.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.608 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.542 HD13 ' O ' ' D' ' 8' ' ' LEU . 0.3 OUTLIER -71.26 -45.44 63.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.129 -0.982 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 12.5 t -65.83 -47.96 73.28 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.736 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 mt -63.74 -46.1 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.053 -1.03 . . . . 0.0 109.541 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -49.87 -49.69 48.47 Favored 'General case' 0 C--O 1.205 -1.245 0 O-C-N 119.925 -1.734 . . . . 0.0 111.003 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -60.79 -31.33 70.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 109.62 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -73.11 -53.58 10.69 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.501 -0.75 . . . . 0.0 109.957 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.4 mt -49.92 -41.16 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.127 -0.983 . . . . 0.0 109.427 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.8 tt -69.24 -46.14 68.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.179 -0.951 . . . . 0.0 109.128 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -45.42 -48.45 13.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.164 -0.96 . . . . 0.0 110.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.47 -47.84 74.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.989 . . . . 0.0 109.674 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -51.14 -43.08 61.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -68.16 -30.92 70.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -62.9 -50.09 72.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.915 . . . . 0.0 109.808 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 16.5 pt -73.33 -31.52 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.162 -0.961 . . . . 0.0 109.749 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -32.83 74.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 0.0 109.667 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -77.89 -46.72 20.53 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.194 -0.941 . . . . 0.0 109.729 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 34.1 m -68.73 -32.74 72.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.111 -0.993 . . . . 0.0 110.162 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.69 -51.84 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.873 -1.142 . . . . 0.0 109.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.12 -32.47 76.62 Favored Glycine 0 N--CA 1.503 3.116 0 C-N-CA 119.743 -1.218 . . . . 0.0 110.222 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.42 -48.69 18.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.52 -1.576 . . . . 0.0 109.592 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.22 -39.83 73.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 109.523 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -56.82 -39.71 74.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.147 -0.971 . . . . 0.0 109.607 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -58.95 -44.37 91.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.0 109.264 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -93.51 56.7 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.26 -0.9 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -152.19 -23.02 0.18 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.379 -0.826 . . . . 0.0 109.335 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.361 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 10.1 ptt? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.515 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 2.2 tt 85.29 -58.15 0.08 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.902 -0.499 . . . . 0.0 109.917 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.3 mt-10 -71.8 -50.13 10.08 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 120.532 -1.355 . . . . 0.0 108.996 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.3 Cg_endo -94.02 -24.21 0.21 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.796 2.331 . . . . 0.0 111.82 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.515 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 5.8 t80 -84.75 -52.2 6.24 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.168 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -46.3 -48.6 18.17 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.98 -1.075 . . . . 0.0 110.627 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.81 -21.08 25.0 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.075 0 O-C-N 121.903 -0.498 . . . . 0.0 110.097 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -75.71 -38.43 58.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.012 -1.055 . . . . 0.0 108.863 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -66.39 -46.27 77.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.855 . . . . 0.0 109.423 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -72.79 -20.9 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.243 -0.911 . . . . 0.0 109.077 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.4 t -81.08 -49.56 10.72 Favored 'General case' 0 C--O 1.203 -1.365 0 O-C-N 119.889 -1.757 . . . . 0.0 110.945 177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -64.99 -26.99 68.53 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.063 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -72.68 -61.38 1.83 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 0.0 109.778 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -57.11 -31.14 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -74.86 -33.43 62.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 109.567 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m -61.98 -53.34 56.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.887 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -50.58 70.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.113 -0.992 . . . . 0.0 109.39 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.23 -41.08 62.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 109.083 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -71.96 -36.35 69.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 0.0 109.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -67.87 -54.53 18.16 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.188 -0.945 . . . . 0.0 109.673 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 22' ' ' ALA . 9.8 tp -63.67 -36.95 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.186 -0.946 . . . . 0.0 109.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -66.07 -34.41 78.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.317 -0.865 . . . . 0.0 109.624 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -71.58 -44.34 64.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.349 -0.844 . . . . 0.0 109.562 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -61.77 -32.9 73.2 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.185 -0.947 . . . . 0.0 109.592 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASN . 82.8 mt -85.41 -61.02 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.964 -1.085 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 29' ' ' ASN . . . -51.95 -35.85 41.22 Favored Glycine 0 N--CA 1.504 3.229 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.299 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -79.62 -48.8 13.14 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.413 -1.639 . . . . 0.0 109.661 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.1 tt -68.44 -53.48 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.0 109.946 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 30' ' ' GLN . 39.4 p-10 -51.55 -29.4 16.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.962 -1.086 . . . . 0.0 109.878 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.536 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 64.9 tp60 -64.8 -53.48 46.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.11 -0.994 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 31' ' ' ILE . 15.1 tt -85.8 53.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 CA-C-O 121.995 0.902 . . . . 0.0 109.202 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -168.74 -53.7 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.025 -1.047 . . . . 0.0 109.636 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.474 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.481 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 22.5 ttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.485 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 2.5 tt 83.07 -61.86 0.13 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.879 -0.513 . . . . 0.0 109.996 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.3 mt-10 -64.37 -50.09 68.67 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 120.374 -1.454 . . . . 0.0 109.375 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 32.6 Cg_endo -96.04 -25.44 0.11 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 122.784 2.323 . . . . 0.0 112.45 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.485 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 25.1 t80 -86.06 -44.17 12.51 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.216 -0.927 . . . . 0.0 110.857 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -45.92 -63.95 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.937 -1.102 . . . . 0.0 110.036 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 tp -46.3 -21.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.832 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.527 HD23 ' O ' ' B' ' 8' ' ' LEU . 1.7 tt -74.33 -50.15 19.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.025 -1.047 . . . . 0.0 108.431 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.2 m -56.11 -33.48 65.15 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.317 -0.864 . . . . 0.0 109.302 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.69 -58.85 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.0 109.551 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -43.55 -40.17 3.83 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 120.292 -1.505 . . . . 0.0 110.953 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -63.22 -44.16 96.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.657 -1.277 . . . . 0.0 109.382 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.59 -47.57 69.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.36 -0.837 . . . . 0.0 109.582 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.5 -40.83 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.928 . . . . 0.0 109.514 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -72.54 -45.13 60.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.289 -0.882 . . . . 0.0 109.278 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -48.29 -49.06 35.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.968 . . . . 0.0 109.86 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.82 -49.88 54.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.474 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -50.33 -51.13 48.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.246 -0.909 . . . . 0.0 109.174 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.72 -34.94 79.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.742 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.5 -44.29 96.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.171 -0.956 . . . . 0.0 109.481 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.06 -44.86 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 109.662 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.98 81.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.799 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.7 t-105 -62.63 -44.08 97.2 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.205 -0.935 . . . . 0.0 109.586 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -62.19 -33.88 75.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.976 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.17 -58.29 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.954 -1.091 . . . . 0.0 110.197 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.87 -34.22 70.82 Favored Glycine 0 N--CA 1.504 3.182 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.638 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.403 ' CE1' HD11 ' B' ' 31' ' ' ILE . 61.4 t60 -50.69 -47.49 58.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.317 -1.696 . . . . 0.0 109.375 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.3 mm? -63.92 -41.74 97.57 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.905 . . . . 0.0 109.252 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -52.1 -41.94 62.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.132 -0.98 . . . . 0.0 108.797 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.31 -38.32 88.97 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' B' ' 27' ' ' HIS . 21.3 mt -91.61 52.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.342 -0.849 . . . . 0.0 108.712 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -159.23 -60.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.39 -0.819 . . . . 0.0 109.366 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt-85 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.547 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 19.6 ptt? . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.507 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 2.5 tt 83.31 -61.6 0.12 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.836 -0.54 . . . . 0.0 109.979 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.61 -52.11 28.28 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 120.554 -1.341 . . . . 0.0 109.252 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -92.25 -24.28 0.33 Allowed 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.525 2.15 . . . . 0.0 112.297 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.507 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 17.2 t80 -86.33 -49.79 7.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.22 -0.925 . . . . 0.0 110.744 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -44.62 -55.31 5.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.005 -1.06 . . . . 0.0 110.753 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 tt -57.54 -19.19 10.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.162 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.505 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -77.26 -52.21 9.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.041 -1.037 . . . . 0.0 108.97 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -60.79 -40.96 94.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.971 . . . . 0.0 109.697 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.52 -36.71 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.122 -0.986 . . . . 0.0 109.663 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -63.87 -41.81 97.66 Favored 'General case' 0 C--O 1.207 -1.179 0 O-C-N 119.918 -1.739 . . . . 0.0 110.968 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 -28.45 68.29 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.665 -0.814 . . . . 0.0 109.625 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -66.94 -59.03 3.85 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 0.0 110.023 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 14.2 tt -56.23 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.105 -0.997 . . . . 0.0 109.725 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.556 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.6 tt -73.3 -42.47 62.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.08 -1.013 . . . . 0.0 109.345 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 61.6 m -50.91 -50.86 56.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.114 -0.991 . . . . 0.0 109.981 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.4 97.48 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.062 -1.024 . . . . 0.0 109.555 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 tp -55.5 -39.62 70.7 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.243 -0.91 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -65.03 -40.74 95.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.685 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.72 -54.65 42.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.0 109.869 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.403 HD13 HG21 ' C' ' 21' ' ' ILE . 12.8 mt -67.02 -47.3 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.132 -0.98 . . . . 0.0 109.696 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.3 -37.79 65.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.132 -0.98 . . . . 0.0 109.414 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -63.45 -45.79 89.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.334 -0.854 . . . . 0.0 109.499 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -67.26 -32.93 74.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.946 . . . . 0.0 109.91 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.1 mt -75.51 -56.27 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 109.885 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.6 91.02 Favored Glycine 0 N--CA 1.502 3.067 0 C-N-CA 119.575 -1.298 . . . . 0.0 109.895 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -69.77 -36.81 76.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.507 -1.584 . . . . 0.0 109.307 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.56 -32.03 42.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.0 109.775 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -60.94 -38.92 87.51 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.031 -1.043 . . . . 0.0 110.521 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -65.47 -40.97 93.8 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.979 -1.076 . . . . 0.0 110.177 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.604 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.8 tp -92.41 48.39 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.927 -1.108 . . . . 0.0 109.0 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -103.36 -41.5 6.0 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.533 -0.729 . . . . 0.0 109.16 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.391 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.364 0.602 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.79 HD22 ' N ' ' D' ' 2' ' ' LEU . 0.9 OUTLIER -89.24 -128.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.753 ' H ' ' CD ' ' D' ' 4' ' ' PRO . 1.2 tp10 -144.86 -45.66 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 120.395 -1.441 . . . . 0.0 108.482 179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.753 ' CD ' ' H ' ' D' ' 3' ' ' GLU . 87.5 Cg_endo -98.16 -11.24 0.45 Allowed 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.803 2.336 . . . . 0.0 112.148 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -102.16 -57.85 1.99 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.321 -0.862 . . . . 0.0 110.154 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -47.41 -47.49 26.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.959 -1.088 . . . . 0.0 110.641 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 6.6 tp -68.13 -19.69 24.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-O 121.337 0.589 . . . . 0.0 109.783 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 tp -72.86 -43.62 62.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.097 -1.002 . . . . 0.0 109.155 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -67.11 -50.25 62.12 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.976 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.56 -34.16 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.116 -0.99 . . . . 0.0 109.812 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -72.24 -43.27 64.62 Favored 'General case' 0 C--O 1.202 -1.417 0 O-C-N 119.815 -1.803 . . . . 0.0 110.993 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -60.62 -30.8 70.07 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.539 -0.865 . . . . 0.0 108.796 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -68.41 -46.05 70.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.463 -0.773 . . . . 0.0 109.131 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 mm -59.4 -45.02 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.873 . . . . 0.0 109.506 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 tp -66.62 -35.93 81.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -0.881 . . . . 0.0 109.904 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -58.31 -51.49 69.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.0 110.232 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.95 -27.72 66.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.972 -1.08 . . . . 0.0 109.964 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.469 HD13 ' O ' ' D' ' 18' ' ' LEU . 0.2 OUTLIER -63.4 -52.74 60.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.697 -179.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -63.38 -43.62 97.09 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.091 -1.006 . . . . 0.0 110.131 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -56.09 -47.64 77.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.124 -0.985 . . . . 0.0 110.184 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mm -69.97 -43.17 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.17 -0.956 . . . . 0.0 109.796 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.86 99.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.123 -0.986 . . . . 0.0 109.899 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -62.99 -43.87 97.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.178 -0.951 . . . . 0.0 109.678 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.8 m -61.87 -34.04 75.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.944 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.33 -60.15 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.38 -37.32 73.55 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.17 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -70.23 -50.12 43.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.466 -1.608 . . . . 0.0 109.249 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.76 -36.8 85.08 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.303 -0.873 . . . . 0.0 109.227 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -56.9 -41.6 78.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.927 . . . . 0.0 109.495 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -58.91 -48.11 82.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.212 -0.93 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 pt -90.1 54.57 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.248 -0.907 . . . . 0.0 109.014 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -115.58 -38.0 3.85 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.499 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.3 tt 84.23 -62.03 0.09 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.884 -0.51 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.0 mm-40 -65.68 -49.04 62.67 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 120.469 -1.394 . . . . 0.0 109.282 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.4 Cg_endo -95.29 -27.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.936 2.424 . . . . 0.0 112.525 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 37.0 t80 -85.13 -44.71 12.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.199 -0.938 . . . . 0.0 110.966 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 8' ' ' LEU . 65.8 tt0 -46.25 -65.82 0.5 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.87 -1.144 . . . . 0.0 110.09 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 tp -45.47 -20.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.047 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.0 tt -74.61 -51.37 14.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.956 -1.09 . . . . 0.0 108.39 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -58.76 -37.9 77.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.261 -0.9 . . . . 0.0 109.387 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.89 -57.77 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 0.0 109.256 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -43.29 -51.24 6.37 Favored 'General case' 0 C--O 1.206 -1.233 0 O-C-N 120.001 -1.687 . . . . 0.0 111.011 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -58.67 -38.53 78.38 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.312 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.29 -41.92 94.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.264 -0.898 . . . . 0.0 109.363 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.35 -50.35 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 109.304 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.5 tt -63.83 -40.16 95.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 p -48.25 -51.18 26.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.11 -0.993 . . . . 0.0 109.683 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.93 65.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.21 -0.931 . . . . 0.0 109.618 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -56.45 -43.05 79.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.132 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -67.68 -36.51 80.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 109.713 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.38 -49.08 78.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.883 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 22' ' ' ALA . 15.3 tt -77.66 -37.74 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.227 -0.921 . . . . 0.0 110.048 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -68.02 -44.48 76.4 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.122 -0.986 . . . . 0.0 109.928 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -64.87 -43.67 92.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.197 -0.94 . . . . 0.0 109.788 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -64.65 -35.75 82.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.118 -0.989 . . . . 0.0 109.955 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.87 -57.02 5.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.796 -1.19 . . . . 0.0 109.855 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.25 -33.98 82.58 Favored Glycine 0 N--CA 1.503 3.112 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -77.79 -51.09 11.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.582 -1.54 . . . . 0.0 109.426 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.67 -42.57 95.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.286 -0.884 . . . . 0.0 109.24 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.3 -38.97 81.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.15 -0.969 . . . . 0.0 109.49 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -53.91 -50.38 66.53 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.918 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' ILE . 14.1 tt -91.03 57.83 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 0.0 109.139 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -168.79 -69.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.923 -1.11 . . . . 0.0 109.582 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.438 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 ptt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' B' ' 5' ' ' PHE . 32.7 mt 67.73 -55.54 0.48 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.888 -0.507 . . . . 0.0 111.196 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.409 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 0.6 OUTLIER -71.52 -49.9 11.05 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.528 -1.358 . . . . 0.0 109.598 -179.348 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 69.7 Cg_endo -103.6 -5.24 0.22 Allowed 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 123.183 2.589 . . . . 0.0 112.739 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.4 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 58.6 t80 -108.26 -68.48 0.9 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.267 -0.896 . . . . 0.0 111.415 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -45.88 -63.81 0.89 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.831 -1.168 . . . . 0.0 110.62 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -46.88 -22.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 121.172 0.51 . . . . 0.0 109.775 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.12 -48.06 25.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.035 -1.04 . . . . 0.0 108.503 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -56.06 -31.85 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 108.97 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 26.0 mm -66.05 -54.54 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -44.37 -48.96 9.8 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 120.353 -1.467 . . . . 0.0 110.936 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.0 t -62.05 -41.27 97.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.585 -1.322 . . . . 0.0 109.511 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.31 -49.29 77.6 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.353 -0.842 . . . . 0.0 109.459 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.86 -38.12 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.868 . . . . 0.0 109.596 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.25 -45.45 63.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.258 -0.901 . . . . 0.0 109.217 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -47.14 -50.82 19.59 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.193 -0.942 . . . . 0.0 109.8 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.52 76.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 109.389 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.509 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -52.51 -46.94 66.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.258 -0.901 . . . . 0.0 109.013 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -68.27 -36.31 79.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.666 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.99 -55.19 27.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.735 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 19.6 tt -67.37 -35.49 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.58 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.38 -32.19 71.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -65.34 -46.23 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.2 m -66.85 -34.45 77.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.949 . . . . 0.0 110.021 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -76.44 -54.1 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.863 -1.148 . . . . 0.0 109.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.75 -33.92 87.32 Favored Glycine 0 N--CA 1.502 3.078 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.25 -46.05 61.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.548 -1.56 . . . . 0.0 109.076 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.48 -33.89 66.39 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.386 -0.821 . . . . 0.0 109.086 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.92 -36.61 79.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.212 -0.93 . . . . 0.0 109.416 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -57.8 -46.55 84.49 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.408 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.484 HG23 ' O ' ' B' ' 31' ' ' ILE . 13.3 tt -92.77 56.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-O 121.999 0.904 . . . . 0.0 108.936 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -159.88 -61.9 0.07 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.999 -1.063 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.966 -1.016 . . . . 0.0 109.471 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.4 mmm . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' C' ' 5' ' ' PHE . 9.6 tp -73.63 -21.65 60.24 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.352 -0.842 . . . . 0.0 109.308 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.79 ' O ' ' N ' ' C' ' 5' ' ' PHE . 0.2 OUTLIER 76.74 160.22 0.15 Allowed Pre-proline 0 N--CA 1.504 2.26 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 -178.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -9.07 54.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.485 1.008 1 C-N-CA 125.547 4.165 . . . . 0.0 114.587 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.79 ' N ' ' O ' ' C' ' 3' ' ' GLU . 2.6 t80 -163.17 -46.12 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.768 ' NE2' ' H ' ' C' ' 3' ' ' GLU . 9.9 pt20 -56.2 -42.29 76.94 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.488 ' N ' ' CG ' ' C' ' 6' ' ' GLN . 8.1 tp -58.79 -22.1 20.41 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.063 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.545 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.0 -41.0 26.7 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.205 -0.934 . . . . 0.0 109.064 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -59.24 -51.42 70.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.851 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.575 ' N ' HD12 ' C' ' 10' ' ' ILE . 2.3 mp -69.47 -58.72 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.057 -1.027 . . . . 0.0 109.286 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.6 m -45.41 -49.87 12.89 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 119.914 -1.741 . . . . 0.0 110.971 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -58.91 -37.2 76.1 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.657 -0.817 . . . . 0.0 109.423 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -61.82 -45.48 93.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 109.551 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.04 -45.01 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 109.58 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.17 -36.04 78.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -56.5 -54.61 43.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.049 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 -57.8 5.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.054 -1.029 . . . . 0.0 109.702 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.35 -33.71 6.11 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.198 -0.939 . . . . 0.0 109.519 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -69.69 -40.67 76.2 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.214 -0.929 . . . . 0.0 109.709 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -72.08 -51.2 22.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.148 -0.97 . . . . 0.0 109.833 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.2 mm -55.63 -47.91 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.09 74.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.0 109.643 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -71.48 -43.5 66.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.825 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 61.4 m -66.8 -32.97 74.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.251 -0.906 . . . . 0.0 110.132 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 85.9 mt -81.45 -55.19 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 120.888 -1.132 . . . . 0.0 110.023 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.07 -35.81 92.0 Favored Glycine 0 N--CA 1.503 3.1 0 C-N-CA 119.597 -1.287 . . . . 0.0 109.964 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -72.08 -44.23 63.59 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.523 -1.575 . . . . 0.0 109.29 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.45 -35.78 78.07 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.311 -0.868 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.46 -35.77 70.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.894 . . . . 0.0 109.718 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.66 -51.81 67.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.184 -0.947 . . . . 0.0 109.596 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.432 HG23 ' O ' ' C' ' 31' ' ' ILE . 11.1 tt -84.49 50.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.181 -0.95 . . . . 0.0 109.09 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.81 -54.85 2.44 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.463 -0.773 . . . . 0.0 109.249 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.491 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' D' ' 2' ' ' LEU . 29.3 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.6 tt 83.17 -59.6 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.774 -0.579 . . . . 0.0 110.194 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 2.2 tt0 -67.7 -48.87 41.46 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 120.346 -1.471 . . . . 0.0 109.327 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 42.4 Cg_endo -95.98 -22.54 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.905 2.403 . . . . 0.0 112.652 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.466 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 23.5 t80 -90.92 -43.9 9.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.19 -0.944 . . . . 0.0 110.903 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -46.2 -52.09 13.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.857 -1.152 . . . . 0.0 110.429 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 tp -56.12 -18.56 5.93 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 121.357 0.599 . . . . 0.0 109.496 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.511 HD23 ' O ' ' D' ' 8' ' ' LEU . 4.0 tt -78.5 -53.16 7.52 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.245 -0.91 . . . . 0.0 108.786 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 28.0 p -56.86 -45.13 82.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.327 -0.858 . . . . 0.0 109.679 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' D' ' 11' ' ' SER . 96.2 mt -62.58 -51.5 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.162 -0.962 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.407 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.2 m -42.27 -52.71 4.38 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 120.061 -1.65 . . . . 0.0 110.961 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -59.86 -42.34 93.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.54 -36.38 66.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.331 -0.855 . . . . 0.0 109.556 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.61 -44.63 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.159 -0.963 . . . . 0.0 109.604 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.27 -29.65 62.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.194 -0.941 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 65.5 p -64.36 -43.64 93.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.61 -51.13 11.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -0.94 . . . . 0.0 109.394 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 tp -53.54 -37.95 63.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -69.73 -42.56 73.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.302 -0.874 . . . . 0.0 109.682 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -63.02 -57.0 12.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.123 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -59.85 -34.15 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.145 -0.972 . . . . 0.0 110.026 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.18 -22.4 52.5 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.886 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -80.79 -46.48 15.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.1 -1.0 . . . . 0.0 109.502 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' D' ' 25' ' ' ILE . 3.5 t -63.18 -47.64 81.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.925 . . . . 0.0 109.363 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG2' ' D' ' 24' ' ' THR . 96.7 mt -63.15 -57.62 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.384 -0.822 . . . . 0.0 109.842 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.48 -27.17 67.47 Favored Glycine 0 N--CA 1.501 3.032 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -81.06 -55.88 4.47 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.764 -1.433 . . . . 0.0 109.316 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -50.51 -43.28 55.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.363 -0.835 . . . . 0.0 109.416 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -55.82 -34.92 65.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.932 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -60.52 -45.19 94.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 0.0 109.293 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 pt -91.27 54.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.195 -0.94 . . . . 0.0 109.456 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -156.81 -56.58 0.08 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 0.0 109.381 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.436 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 20.3 ptt? . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.4 tt 84.8 -59.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.875 -0.515 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.2 tt0 -73.05 -47.84 7.96 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 120.598 -1.314 . . . . 0.0 109.619 -179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -97.8 -16.16 0.26 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.091 2.527 . . . . 0.0 112.878 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.424 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 46.6 t80 -102.06 -62.45 1.26 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.203 -0.936 . . . . 0.0 111.27 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -53.9 -26.0 22.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.68 -1.262 . . . . 0.0 110.06 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.8 tt -72.2 -20.57 20.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.1 tt -79.31 -47.05 16.52 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 p -57.18 -37.98 72.95 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -0.808 . . . . 0.0 109.718 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.08 -67.24 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 109.989 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -44.79 -43.78 8.87 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 120.086 -1.634 . . . . 0.0 110.967 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.0 t -61.36 -43.89 98.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.813 -1.18 . . . . 0.0 109.22 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.06 -50.13 74.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 109.481 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.45 -34.73 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.259 -0.901 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.3 tt -74.01 -43.94 56.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 0.0 109.42 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -50.23 -51.63 42.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.02 . . . . 0.0 109.889 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -42.03 94.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.02 -1.05 . . . . 0.0 109.578 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.2 tp -50.92 -45.03 60.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.24 -38.11 89.88 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.92 . . . . 0.0 109.494 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.58 -52.76 64.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.5 mt -70.93 -44.78 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.231 -0.918 . . . . 0.0 109.567 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.75 70.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -71.7 -43.36 66.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.288 -0.882 . . . . 0.0 109.547 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.4 m -66.17 -35.15 79.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 110.056 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.84 -55.52 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.881 -1.137 . . . . 0.0 109.747 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.28 83.96 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -75.2 -49.64 18.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.588 -1.536 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.23 -41.56 94.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.309 -0.87 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.2 t-20 -59.75 -36.46 76.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.152 -0.968 . . . . 0.0 109.525 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -57.85 -48.61 79.29 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -90.92 55.04 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.257 -0.902 . . . . 0.0 109.178 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -166.12 -69.83 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.0 109.479 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' NH2' HH21 ' B' ' 33' ' ' ARG . 74.2 ttt180 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.46 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.568 ' CA ' HE21 ' B' ' 6' ' ' GLN . 54.9 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.526 ' N ' ' NE2' ' B' ' 6' ' ' GLN . 20.7 tp -78.01 -75.87 0.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.0 109.087 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.12 -51.79 0.0 OUTLIER Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 120.577 -1.327 . . . . 0.0 110.861 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.91 -95.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.285 1.99 . . . . 0.0 113.252 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -74.91 -34.74 62.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.473 -0.767 . . . . 0.0 112.318 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.568 HE21 ' CA ' ' B' ' 1' ' ' MET . 22.4 tt0 -54.36 -72.45 0.06 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.147 -1.596 . . . . 0.0 109.988 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 tt -48.68 -20.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.169 0 CA-C-O 121.225 0.536 . . . . 0.0 110.074 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 8' ' ' LEU . 0.3 OUTLIER -73.73 -55.9 5.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.955 . . . . 0.0 109.46 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -57.1 -54.69 43.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 109.798 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.597 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.7 mp -54.15 -36.76 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.053 -1.029 . . . . 0.0 108.772 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -57.69 -43.14 84.88 Favored 'General case' 0 C--O 1.204 -1.331 0 O-C-N 120.039 -1.663 . . . . 0.0 110.928 178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -61.27 -38.27 86.13 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.352 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -62.01 -49.12 77.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.574 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.1 mt -53.08 -50.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 109.373 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.72 -37.26 81.98 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.225 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 12.5 t -51.05 -42.22 60.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.0 65.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.207 -0.933 . . . . 0.0 109.32 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.497 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -58.95 -46.86 86.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.966 . . . . 0.0 108.904 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -60.42 -42.67 96.51 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.651 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -69.61 -49.8 50.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.925 . . . . 0.0 109.769 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 mm -61.62 -41.27 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.181 -0.95 . . . . 0.0 109.58 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.35 76.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 58.7 t-105 -68.25 -44.86 74.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.232 -0.918 . . . . 0.0 109.633 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -64.63 -33.59 76.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.197 -0.939 . . . . 0.0 109.989 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 95.5 mt -80.68 -57.12 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.882 -1.137 . . . . 0.0 110.118 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.53 ' O ' ' ND2' ' B' ' 29' ' ' ASN . . . -61.33 -34.47 88.32 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 119.706 -1.235 . . . . 0.0 110.388 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -76.98 -38.88 52.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.434 -1.627 . . . . 0.0 110.334 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tt -47.79 -51.24 23.23 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.88 -1.138 . . . . 0.0 110.134 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 30' ' ' GLN . 19.6 p30 -55.68 -41.68 74.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.022 -1.049 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.531 ' N ' ' OD1' ' B' ' 29' ' ' ASN . 66.9 mt-30 -55.11 -31.98 61.66 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 108.59 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mt -91.26 50.21 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 109.064 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -163.81 -74.92 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.499 -0.751 . . . . 0.0 109.44 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.451 HH21 ' NH2' ' A' ' 33' ' ' ARG . 69.1 mtp85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.551 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.404 ' O ' ' N ' ' C' ' 3' ' ' GLU . 55.6 mmm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 32.6 mt 67.18 -56.19 0.44 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.82 -0.55 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' C' ' 1' ' ' MET . 1.3 mt-10 -67.89 -52.43 24.7 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.533 -1.355 . . . . 0.0 109.331 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -103.01 -9.93 0.16 Allowed 'Trans proline' 0 C--N 1.318 -1.049 0 C-N-CA 122.85 2.367 . . . . 0.0 113.182 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.411 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 69.5 t80 -100.66 -69.87 0.76 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.09 -1.006 . . . . 0.0 111.321 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -46.13 -50.32 15.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.859 -1.151 . . . . 0.0 110.197 -178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 tt -55.93 -23.02 14.55 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.66 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.507 HD23 ' O ' ' C' ' 8' ' ' LEU . 3.4 tt -74.5 -44.92 49.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 108.732 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -59.5 -35.52 74.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.3 -0.875 . . . . 0.0 109.725 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -66.14 -55.35 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.14 -0.975 . . . . 0.0 109.523 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -46.15 -45.93 16.94 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.048 -1.658 . . . . 0.0 110.959 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.64 -33.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.685 -1.26 . . . . 0.0 109.405 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -67.58 -40.06 84.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.438 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.82 -49.14 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.227 -0.921 . . . . 0.0 109.252 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.28 -24.82 67.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.12 -0.987 . . . . 0.0 109.087 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 10.1 p -65.18 -50.78 64.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.372 -0.83 . . . . 0.0 109.577 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.5 -45.46 68.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.258 -0.901 . . . . 0.0 109.507 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.68 -39.78 89.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.0 109.241 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -64.51 -45.57 86.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 109.547 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -56.05 -49.98 72.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 0.0 110.016 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.68 -53.01 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.17 -0.956 . . . . 0.0 110.016 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.02 -41.18 67.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.232 -0.918 . . . . 0.0 110.142 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -62.77 -44.4 96.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.155 -0.966 . . . . 0.0 109.793 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -65.29 -33.04 75.04 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.856 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 93.2 mt -76.04 -59.17 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 120.978 -1.076 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -35.61 92.32 Favored Glycine 0 N--CA 1.503 3.109 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.101 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -71.25 -49.61 41.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.505 -1.586 . . . . 0.0 109.382 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.37 -35.81 80.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -60.41 -37.98 82.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.143 -0.973 . . . . 0.0 109.641 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -59.09 -45.91 89.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.59 HG23 ' O ' ' C' ' 31' ' ' ILE . 10.8 tp -93.4 56.98 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.224 -0.922 . . . . 0.0 109.21 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -156.54 -60.55 0.1 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.949 -1.095 . . . . 0.0 109.333 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.524 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.471 ' N ' HD23 ' D' ' 2' ' ' LEU . 22.5 ttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.863 ' N ' HD23 ' D' ' 2' ' ' LEU . 0.3 OUTLIER -141.28 -100.53 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.257 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.544 ' H ' ' HG ' ' D' ' 2' ' ' LEU . 7.4 mt-10 -139.55 -65.66 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 120.737 -1.227 . . . . 0.0 109.936 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.531 ' HD2' ' H ' ' D' ' 3' ' ' GLU . 33.3 Cg_endo -61.64 -23.52 76.5 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.3 2.0 . . . . 0.0 113.726 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -97.54 -63.13 1.16 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.719 -1.238 . . . . 0.0 111.04 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -50.94 -28.35 9.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.044 -1.035 . . . . 0.0 110.206 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . 0.404 HG22 ' O ' ' D' ' 3' ' ' GLU . 17.5 tt -72.86 -20.95 19.25 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.239 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.416 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.9 tt -79.63 -48.58 13.51 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -56.3 -38.87 71.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' D' ' 11' ' ' SER . 93.3 mt -65.81 -64.5 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.113 -0.992 . . . . 0.0 109.665 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' D' ' 10' ' ' ILE . 97.5 p -44.41 -36.97 3.12 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.119 -1.613 . . . . 0.0 110.986 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -62.67 -41.99 99.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.068 -1.02 . . . . 0.0 109.075 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -59.23 -38.23 79.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.0 109.081 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -63.1 -37.86 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.231 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.31 -33.02 72.52 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.702 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 -58.88 5.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.202 -0.936 . . . . 0.0 110.102 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.92 94.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.086 -1.009 . . . . 0.0 109.716 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.68 -44.51 96.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 0.0 109.383 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -67.09 -37.23 83.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.873 . . . . 0.0 109.709 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -59.35 -52.22 66.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 109.934 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.2 -43.86 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.0 109.883 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.3 93.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.158 -0.964 . . . . 0.0 109.941 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -66.87 -44.99 79.5 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.935 . . . . 0.0 109.892 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 51.5 m -60.79 -34.08 73.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.103 -0.998 . . . . 0.0 110.223 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.408 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.5 mt -78.37 -60.72 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.842 -1.161 . . . . 0.0 110.114 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.71 -36.22 91.27 Favored Glycine 0 N--CA 1.503 3.124 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.038 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -68.99 -49.43 57.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.528 -1.572 . . . . 0.0 109.143 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.34 -37.42 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.0 109.082 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.4 m120 -58.51 -37.78 76.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -61.2 -46.04 92.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.228 -0.92 . . . . 0.0 109.342 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 pt -88.92 51.54 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.179 -0.951 . . . . 0.0 109.189 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -108.86 -43.22 4.28 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.043 -0.979 . . . . 0.0 109.476 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 32.6 tpp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 2.5 tt 81.9 -59.82 0.21 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.774 -0.579 . . . . 0.0 110.217 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.4 mt-10 -67.81 -50.41 33.98 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 120.346 -1.471 . . . . 0.0 109.355 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 41.3 Cg_endo -94.54 -24.33 0.18 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.718 2.279 . . . . 0.0 112.254 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 27.0 t80 -86.5 -46.93 9.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.227 -0.921 . . . . 0.0 110.747 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -46.11 -51.0 14.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.85 -1.156 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -59.46 -17.05 11.74 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.149 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.8 tt -82.1 -55.05 4.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.985 . . . . 0.0 109.079 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 p -56.3 -42.74 78.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 0.0 109.45 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' SER . 96.2 mt -62.74 -54.08 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 0.0 109.285 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -42.05 -51.03 4.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 120.118 -1.614 . . . . 0.0 110.925 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -57.53 -40.81 79.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.327 -0.858 . . . . 0.0 109.487 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.56 -39.73 73.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.0 109.69 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.03 -47.27 91.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.926 . . . . 0.0 109.645 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.8 tt -68.78 -42.66 77.09 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.264 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 m -47.97 -46.94 33.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.122 -0.986 . . . . 0.0 109.761 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.6 -48.88 68.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.279 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -48.59 -55.3 11.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.251 -0.906 . . . . 0.0 109.17 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -57.87 -39.04 76.87 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -57.58 -45.48 85.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.172 -0.955 . . . . 0.0 109.569 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.8 mm -75.95 -47.58 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.144 -0.973 . . . . 0.0 109.618 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -37.96 74.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.211 -0.93 . . . . 0.0 109.747 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -69.36 -44.94 70.55 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.219 -0.925 . . . . 0.0 109.476 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.95 -33.16 74.77 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.962 . . . . 0.0 109.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -76.22 -61.25 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.983 -1.073 . . . . 0.0 110.034 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.93 -35.0 90.71 Favored Glycine 0 N--CA 1.503 3.149 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.238 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -71.93 -47.83 49.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.486 -1.597 . . . . 0.0 109.269 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.84 -38.62 91.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.334 -0.854 . . . . 0.0 109.322 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -60.72 -36.86 79.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.192 -0.943 . . . . 0.0 109.622 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -53.03 -45.49 68.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.196 -0.94 . . . . 0.0 109.189 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.96 58.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 122.277 1.037 . . . . 0.0 108.637 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -160.91 -62.68 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.676 -1.265 . . . . 0.0 109.549 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.984 -1.007 . . . . 0.0 109.441 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 42.3 ttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.2 tt 84.93 -57.78 0.09 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.925 -0.484 . . . . 0.0 110.117 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.8 tt0 -75.18 -46.66 4.62 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.588 -1.32 . . . . 0.0 109.403 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 51.8 Cg_endo -99.82 -13.66 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 123.137 2.558 . . . . 0.0 113.058 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.411 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 45.5 t80 -104.26 -61.46 1.44 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.106 -0.996 . . . . 0.0 111.014 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -53.87 -29.67 42.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.716 -1.24 . . . . 0.0 110.059 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 tt -70.15 -21.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.055 0 O-C-N 121.575 -0.703 . . . . 0.0 109.272 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.421 HD23 ' O ' ' B' ' 8' ' ' LEU . 4.2 tt -79.85 -47.8 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 83.6 p -57.31 -35.9 70.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.311 -0.868 . . . . 0.0 109.634 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -69.22 -63.64 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.127 -0.983 . . . . 0.0 109.71 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.79 -39.19 5.06 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 119.986 -1.696 . . . . 0.0 110.969 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -67.66 -42.15 82.62 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.145 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -58.16 -49.34 77.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.217 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.0 mt -59.21 -35.46 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.264 -0.898 . . . . 0.0 109.34 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 15' ' ' LEU . 1.2 tt -71.61 -43.14 66.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.0 108.977 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 48.9 m -49.14 -52.89 23.52 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.169 -0.957 . . . . 0.0 109.809 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.23 88.7 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.049 -1.032 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.472 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -48.98 -47.32 44.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.969 . . . . 0.0 109.004 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -59.75 -42.18 92.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.251 -0.906 . . . . 0.0 109.72 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -59.85 -46.06 90.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.596 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 24.2 mm -69.83 -49.41 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 109.447 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.01 -23.88 49.53 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.898 . . . . 0.0 109.757 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -76.21 -49.3 17.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.185 -0.947 . . . . 0.0 109.52 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 90.9 m -64.62 -31.62 72.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.423 ' O ' ' OD1' ' B' ' 29' ' ' ASN . 96.5 mt -72.55 -58.89 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 110.125 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.35 -33.53 77.82 Favored Glycine 0 N--CA 1.503 3.162 0 C-N-CA 119.633 -1.27 . . . . 0.0 110.176 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -70.27 -50.74 36.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.473 -1.604 . . . . 0.0 109.153 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.57 -42.16 70.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.318 -0.864 . . . . 0.0 109.311 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 25' ' ' ILE . 24.8 m120 -54.5 -48.65 71.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.188 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.92 -36.11 62.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.202 -0.936 . . . . 0.0 108.664 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.7 50.0 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -166.17 36.1 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.418 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' C' ' 3' ' ' GLU . 4.6 tp 71.01 -136.03 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.742 -0.599 . . . . 0.0 109.802 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.575 ' C ' ' H ' ' C' ' 5' ' ' PHE . 1.0 OUTLIER 50.36 -172.48 0.01 OUTLIER Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 120.273 -1.517 . . . . 0.0 107.825 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' C' ' 3' ' ' GLU . 76.8 Cg_exo -52.26 9.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.988 1.792 . . . . 0.0 113.185 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.575 ' H ' ' C ' ' C' ' 3' ' ' GLU . 36.5 t80 -97.01 -74.34 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.88 -1.137 . . . . 0.0 110.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -65.94 -39.21 90.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.542 -1.349 . . . . 0.0 110.019 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.47 HG22 ' O ' ' C' ' 3' ' ' GLU . 10.8 tp -60.05 -20.3 19.56 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.02 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tt -81.67 -43.4 18.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -57.18 -37.09 71.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 109.177 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -71.05 -64.21 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.186 -0.946 . . . . 0.0 109.699 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -47.66 -49.6 27.05 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.134 -1.604 . . . . 0.0 110.998 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.2 t -61.53 -43.66 98.46 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.868 -1.145 . . . . 0.0 109.687 -179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -51.93 -51.21 58.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.133 -0.979 . . . . 0.0 109.496 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 71.1 mt -57.65 -37.33 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.535 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.88 -41.13 75.18 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.311 -0.868 . . . . 0.0 109.155 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 37.1 t -52.36 -56.99 11.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.269 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.59 98.46 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.913 -1.117 . . . . 0.0 109.815 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 41.3 tp -52.42 -39.41 60.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.205 -0.934 . . . . 0.0 109.346 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -69.93 -48.36 58.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.284 -0.885 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -63.01 -52.32 63.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 0.0 110.048 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.555 ' O ' HD13 ' C' ' 21' ' ' ILE . 0.2 OUTLIER -60.32 -44.22 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 120.982 -1.074 . . . . 0.0 108.912 -179.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' C' ' 21' ' ' ILE . . . -63.97 -35.28 80.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.122 -0.986 . . . . 0.0 109.359 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -63.43 -43.93 96.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 0.0 109.499 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 85.5 m -65.09 -31.83 73.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.7 -59.72 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.72 -35.55 92.06 Favored Glycine 0 N--CA 1.502 3.065 0 C-N-CA 119.833 -1.175 . . . . 0.0 110.484 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -67.58 -41.12 84.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.349 -1.677 . . . . 0.0 109.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 tt -60.77 -36.4 78.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.312 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -57.91 -37.01 73.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -0.901 . . . . 0.0 109.683 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -54.16 -41.88 68.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.226 -0.921 . . . . 0.0 109.471 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 5.5 tt -91.06 53.17 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 CA-C-O 122.18 0.991 . . . . 0.0 109.097 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -152.42 -61.22 0.16 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.036 -1.04 . . . . 0.0 109.389 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.483 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.526 ' N ' ' OE1' ' D' ' 6' ' ' GLN . 94.5 mmm . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.167 0.508 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.76 HD22 ' N ' ' D' ' 2' ' ' LEU . 2.6 mm? -83.62 -83.83 0.14 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.126 -0.984 . . . . 0.0 109.071 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.48 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.7 mt-10 172.87 -47.85 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 120.726 -1.234 . . . . 0.0 108.861 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 37.2 Cg_endo -94.8 -37.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 123.006 2.47 . . . . 0.0 112.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -89.14 -57.81 2.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.891 . . . . 0.0 110.497 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . 0.526 ' OE1' ' N ' ' D' ' 1' ' ' MET . 36.8 tp60 -49.57 -42.36 44.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 109.911 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.38 -20.42 26.09 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.251 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.3 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.501 HD23 ' O ' ' D' ' 8' ' ' LEU . 5.0 tt -74.84 -51.85 12.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.929 . . . . 0.0 108.653 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 27.7 p -57.77 -37.57 73.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.338 -0.851 . . . . 0.0 110.163 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.14 -62.5 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.005 -1.059 . . . . 0.0 109.8 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -42.88 -47.06 5.54 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 119.931 -1.73 . . . . 0.0 110.962 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 21.3 p -61.41 -37.59 84.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.655 -1.278 . . . . 0.0 109.682 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -59.67 -42.46 92.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.587 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.44 -40.94 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 109.248 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.553 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.6 tt -69.31 -44.66 71.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 60.0 p -48.62 -49.75 35.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.31 -0.869 . . . . 0.0 110.061 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.92 81.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.095 -1.003 . . . . 0.0 109.738 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 34.0 tp -57.89 -48.44 79.84 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.17 -0.956 . . . . 0.0 109.298 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -63.59 -36.83 85.09 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.312 -0.868 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -58.24 -48.47 80.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.214 -0.929 . . . . 0.0 109.593 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.03 -45.11 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.295 -0.878 . . . . 0.0 109.667 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.04 83.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.615 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -65.34 -43.46 90.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.215 -0.928 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 54.0 m -60.69 -33.98 73.65 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.84 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.6 mt -78.89 -62.34 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.861 -1.149 . . . . 0.0 110.053 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.54 -35.86 82.31 Favored Glycine 0 N--CA 1.503 3.126 0 C-N-CA 119.71 -1.233 . . . . 0.0 110.277 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -71.01 -52.47 19.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.47 -1.606 . . . . 0.0 109.322 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -56.21 -37.9 70.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.223 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 22.4 m120 -62.25 -38.75 90.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.915 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -57.66 -42.71 84.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 109.156 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 pt -91.91 55.03 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 109.24 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -154.46 -54.15 0.1 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.427 -0.796 . . . . 0.0 109.413 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.452 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 14.4 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 1' ' ' MET . 2.8 tt 84.31 -62.87 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.915 -0.491 . . . . 0.0 110.245 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -63.52 -48.35 81.4 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.329 -1.482 . . . . 0.0 109.495 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 38.7 Cg_endo -96.04 -29.44 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.943 2.429 . . . . 0.0 112.785 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 47.2 t80 -83.82 -42.99 15.85 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.172 -0.955 . . . . 0.0 111.074 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.473 ' OE1' ' CG1' ' A' ' 10' ' ' ILE . 1.4 tm0? -45.99 -64.02 0.84 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 110.499 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -51.08 -21.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 8' ' ' LEU . 2.9 tt -72.12 -52.82 14.91 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.78 -1.2 . . . . 0.0 108.535 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.5 p -53.1 -37.81 62.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.244 -0.91 . . . . 0.0 109.115 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CG1' ' OE1' ' A' ' 6' ' ' GLN . 33.0 mm -58.22 -53.95 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.0 109.255 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -44.59 -47.0 10.31 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 120.377 -1.452 . . . . 0.0 110.999 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 t -61.13 -42.06 97.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.748 -1.22 . . . . 0.0 109.24 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -62.68 -50.53 70.79 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.376 -0.828 . . . . 0.0 109.454 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -59.97 -38.71 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.333 -0.854 . . . . 0.0 109.648 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 15' ' ' LEU . 2.1 tt -71.47 -48.6 48.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.4 m -45.91 -46.24 15.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.0 110.144 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.75 70.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.957 -1.089 . . . . 0.0 109.45 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.4 tp -54.19 -48.57 70.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 0.0 109.05 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.88 -33.41 74.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.351 -0.843 . . . . 0.0 109.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.02 -51.68 68.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.205 -0.934 . . . . 0.0 109.694 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -75.66 -44.96 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.761 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -41.78 85.45 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.505 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -64.79 -43.49 93.06 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.906 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.8 m -65.3 -34.21 77.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.843 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -79.8 -57.8 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.938 -1.101 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.73 -34.3 86.13 Favored Glycine 0 N--CA 1.503 3.134 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.246 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -76.57 -49.65 15.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.537 -1.566 . . . . 0.0 109.507 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.3 tt -64.6 -41.46 96.22 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.25 -0.906 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.415 ' ND2' ' NE2' ' B' ' 30' ' ' GLN . 60.3 t-20 -58.11 -37.81 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.177 -0.952 . . . . 0.0 109.487 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -56.19 -49.66 73.41 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.261 -0.899 . . . . 0.0 109.451 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -90.79 56.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.218 -0.926 . . . . 0.0 109.037 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 33' ' ' ARG . 56.9 tttp -158.05 -68.93 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.059 -1.026 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 32' ' ' LYS . 52.9 ttp180 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.484 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.469 ' H1 ' HE21 ' B' ' 6' ' ' GLN . 27.9 tpp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' B' ' 3' ' ' GLU . 57.4 tp -50.96 -78.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.105 -0.997 . . . . 0.0 108.823 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 2' ' ' LEU . 1.7 tt0 167.82 -49.09 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 120.655 -1.278 . . . . 0.0 110.802 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -92.57 -52.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.279 0 C-N-CA 122.325 2.017 . . . . 0.0 114.009 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -105.77 -46.21 4.2 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.237 -0.914 . . . . 0.0 111.503 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.469 HE21 ' H1 ' ' B' ' 1' ' ' MET . 33.4 tt0 -56.3 -22.26 29.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.863 -1.148 . . . . 0.0 110.135 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 tt -73.59 -20.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.327 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tt -85.68 -47.45 9.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.323 -0.86 . . . . 0.0 108.794 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -54.8 -50.16 69.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.966 . . . . 0.0 109.287 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' B' ' 11' ' ' SER . 94.2 mt -68.18 -58.44 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.2 -0.938 . . . . 0.0 109.55 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.2 m -40.63 -50.27 3.02 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 120.053 -1.654 . . . . 0.0 110.956 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.0 m -58.01 -41.06 82.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.197 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -54.25 -43.6 71.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 0.0 109.566 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -61.14 -44.79 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.267 -0.896 . . . . 0.0 109.469 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -66.8 -37.07 83.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.0 109.459 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.1 t -55.29 -56.16 23.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.0 109.714 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.35 64.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.101 -1.0 . . . . 0.0 109.498 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.485 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -47.38 -46.13 25.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 109.156 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -63.94 -48.76 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -53.84 -49.93 67.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' B' ' 23' ' ' TRP . 30.6 mm -68.46 -62.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.8 -21.23 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.42 -0.8 . . . . 0.0 110.438 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.466 ' N ' ' O ' ' B' ' 21' ' ' ILE . 40.4 t-105 -84.09 -48.03 10.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.043 -1.035 . . . . 0.0 109.779 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 59.6 m -65.72 -35.33 80.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.593 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.633 HD12 ' N ' ' B' ' 25' ' ' ILE . 1.5 mp -80.41 -49.66 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.71 -1.244 . . . . 0.0 109.805 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.97 -29.66 74.93 Favored Glycine 0 N--CA 1.503 3.128 0 C-N-CA 119.791 -1.195 . . . . 0.0 110.455 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -58.32 -36.07 72.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.443 -1.622 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -56.95 -37.04 70.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.42 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.623 HD22 ' N ' ' B' ' 29' ' ' ASN . 1.5 m120 -52.61 -48.13 66.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.231 -0.918 . . . . 0.0 109.084 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.415 ' NE2' ' ND2' ' A' ' 29' ' ' ASN . 60.5 tt0 -56.89 -34.38 67.83 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 108.831 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.6 mt -88.98 46.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.376 -0.827 . . . . 0.0 108.99 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -100.19 -43.85 6.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.629 -0.669 . . . . 0.0 109.342 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.536 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 24.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.7 tt 83.26 -61.41 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.785 -0.572 . . . . 0.0 110.948 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 1.4 tt0 -70.59 -47.31 17.81 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.124 -1.61 . . . . 0.0 109.744 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 43.0 Cg_endo -96.77 -23.07 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.983 2.455 . . . . 0.0 113.187 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.436 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 68.7 t80 -94.31 -65.75 0.96 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.071 -1.018 . . . . 0.0 111.289 -179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -48.28 -31.31 5.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.642 -1.287 . . . . 0.0 110.673 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.7 tt -69.02 -25.05 29.04 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.026 0 O-C-N 121.314 -0.866 . . . . 0.0 109.306 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tt -75.06 -38.99 61.17 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -57.7 -44.52 85.92 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.563 -0.711 . . . . 0.0 109.616 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' C' ' 11' ' ' SER . 77.3 mt -63.71 -56.24 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.178 -0.951 . . . . 0.0 109.536 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.401 ' C ' ' O ' ' C' ' 10' ' ' ILE . 75.5 m -43.52 -47.22 7.24 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 119.987 -1.696 . . . . 0.0 110.988 178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -59.41 -40.71 87.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.807 -1.183 . . . . 0.0 109.141 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.84 -44.91 95.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.438 -0.789 . . . . 0.0 109.799 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.89 -42.26 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.149 -0.969 . . . . 0.0 109.877 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -70.08 -34.94 73.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.713 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' C' ' 17' ' ' ALA . 10.4 p -61.55 -57.18 13.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.183 -0.948 . . . . 0.0 109.948 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . 0.46 ' N ' ' OG ' ' C' ' 16' ' ' SER . . . -64.42 -50.63 66.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.927 . . . . 0.0 109.439 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -48.43 -44.43 35.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.242 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.06 -34.74 71.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.23 -0.919 . . . . 0.0 109.464 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -64.27 -54.91 25.91 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.248 -0.908 . . . . 0.0 109.934 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.419 HG23 ' N ' ' C' ' 22' ' ' ALA . 16.4 tt -66.68 -35.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 109.893 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.419 ' N ' HG23 ' C' ' 21' ' ' ILE . . . -65.88 -40.58 91.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 109.642 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -64.07 -43.37 95.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.267 -0.896 . . . . 0.0 109.634 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -64.21 -35.34 80.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.271 -0.893 . . . . 0.0 110.055 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 88.1 mt -79.67 -57.07 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.785 -1.197 . . . . 0.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.8 -35.25 85.88 Favored Glycine 0 N--CA 1.503 3.15 0 C-N-CA 119.611 -1.281 . . . . 0.0 109.975 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.74 -48.49 38.15 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.564 -1.55 . . . . 0.0 109.229 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.04 -36.69 80.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.112 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -57.06 -40.58 77.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.569 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -56.85 -50.39 72.59 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.212 -0.93 . . . . 0.0 109.6 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.579 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.6 tp -90.28 56.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 109.099 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -152.6 -34.8 0.12 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.102 -0.999 . . . . 0.0 109.224 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.529 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.541 ' SD ' ' N ' ' D' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.7 tt 85.23 -59.52 0.08 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 122.014 -0.428 . . . . 0.0 110.115 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 0.6 OUTLIER -70.19 -49.63 17.58 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.619 -1.3 . . . . 0.0 109.326 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 38.0 Cg_endo -94.14 -23.19 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.754 2.303 . . . . 0.0 112.232 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.488 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 29.6 t80 -89.42 -48.11 7.55 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -45.97 -52.1 12.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.801 -1.187 . . . . 0.0 110.424 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.27 -17.47 6.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 121.233 0.539 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.434 HD23 ' C ' ' D' ' 8' ' ' LEU . 4.1 tt -82.43 -55.26 4.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 0.0 109.221 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p -54.72 -45.22 74.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.394 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' D' ' 11' ' ' SER . 79.1 mt -61.42 -49.65 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.211 -0.931 . . . . 0.0 109.141 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' ILE . 75.1 m -41.96 -55.17 3.23 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 120.132 -1.605 . . . . 0.0 110.988 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 14.6 m -54.41 -44.03 72.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.504 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.43 -46.64 76.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -0.875 . . . . 0.0 109.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.16 -41.79 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 tp -67.77 -32.39 72.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.33 -0.856 . . . . 0.0 109.581 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' D' ' 17' ' ' ALA . 24.0 p -61.91 -57.11 13.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.305 -0.872 . . . . 0.0 109.855 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . 0.426 ' N ' ' OG ' ' D' ' 16' ' ' SER . . . -61.47 -49.04 78.39 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.122 -0.986 . . . . 0.0 109.514 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 tp -51.66 -47.14 63.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.892 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -72.36 -32.41 66.43 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.207 -0.933 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -58.23 -48.83 79.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.083 -1.011 . . . . 0.0 109.81 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -76.39 -49.74 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.947 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.76 -50.23 72.88 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.112 -0.992 . . . . 0.0 109.734 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -59.42 -43.73 92.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.236 -0.915 . . . . 0.0 109.437 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 69.9 m -64.46 -34.25 77.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 0.0 109.927 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.51 -58.15 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.884 -1.135 . . . . 0.0 109.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.3 87.43 Favored Glycine 0 N--CA 1.504 3.175 0 C-N-CA 119.722 -1.227 . . . . 0.0 110.286 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.48 -53.12 9.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.437 -1.625 . . . . 0.0 109.506 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -60.67 -44.34 96.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.319 -0.863 . . . . 0.0 109.428 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -54.71 -39.04 67.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 109.391 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -57.86 -46.8 84.28 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.0 109.272 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -90.73 55.56 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.343 -0.848 . . . . 0.0 109.287 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -163.39 -49.36 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.266 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 3' ' ' GLU . 60.7 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 58.0 mt 62.41 -63.03 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.764 -0.585 . . . . 0.0 111.554 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -60.73 -54.01 58.77 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.462 -1.399 . . . . 0.0 109.883 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -101.85 -8.56 0.24 Allowed 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 122.588 2.192 . . . . 0.0 112.922 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 59.6 t80 -100.83 -64.62 1.03 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.067 -1.02 . . . . 0.0 110.926 -178.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.411 ' OE1' ' OG ' ' A' ' 9' ' ' SER . 5.5 tp-100 -46.82 -62.73 1.26 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.871 -1.143 . . . . 0.0 110.015 -178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 tt -47.77 -21.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.057 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.6 tt -72.84 -54.89 7.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.897 -1.127 . . . . 0.0 108.289 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 6' ' ' GLN . 88.1 p -51.14 -34.56 31.57 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 0.0 109.349 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.42 -59.83 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.164 -0.96 . . . . 0.0 109.444 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -44.52 -34.58 2.15 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 120.219 -1.551 . . . . 0.0 110.975 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -68.74 -42.65 77.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.585 -1.322 . . . . 0.0 109.685 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -63.39 -52.63 60.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.302 -0.874 . . . . 0.0 109.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.3 -39.07 58.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.477 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.9 tt -71.79 -45.95 59.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.334 -0.854 . . . . 0.0 109.445 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.7 p -48.78 -48.0 41.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.274 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.45 -49.69 52.6 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.973 -1.079 . . . . 0.0 109.779 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.76 -43.5 69.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.928 . . . . 0.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -69.53 -32.68 71.66 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.39 -51.09 67.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 0.0 109.5 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.18 -49.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 109.823 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.48 -42.47 67.27 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.17 -0.956 . . . . 0.0 109.69 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -70.72 -42.5 70.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.0 m -63.87 -35.65 81.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.07 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.5 mt -81.18 -56.93 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.75 -1.219 . . . . 0.0 109.986 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.51 -35.1 78.52 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.592 -1.289 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -77.21 -54.74 6.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.523 -1.575 . . . . 0.0 109.228 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 28' ' ' LEU . 8.0 tt -59.52 -49.47 77.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -0.873 . . . . 0.0 109.126 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -54.11 -35.89 62.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 109.72 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.71 -55.41 30.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.0 109.59 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' ILE . 13.7 tt -80.71 49.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.143 -0.973 . . . . 0.0 109.136 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -103.66 -51.24 3.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.297 -0.877 . . . . 0.0 109.374 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.491 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.5 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.783 HD22 ' N ' ' B' ' 2' ' ' LEU . 2.5 mm? -89.16 -88.32 0.16 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.093 -1.004 . . . . 0.0 109.046 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.532 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 2.4 mt-10 174.33 -46.63 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 120.665 -1.272 . . . . 0.0 108.76 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 41.7 Cg_endo -94.52 -35.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.293 0 C-N-CA 123.057 2.505 . . . . 0.0 112.973 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 8' ' ' LEU . 79.1 t80 -93.02 -58.59 2.28 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.628 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.469 ' OE1' ' CD1' ' B' ' 10' ' ' ILE . 1.4 tm0? -49.8 -42.0 45.87 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 109.957 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.4 tt -61.59 -21.2 24.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.49 HD23 ' O ' ' B' ' 8' ' ' LEU . 2.8 tt -76.04 -43.16 45.28 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.0 t -56.67 -52.81 63.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.316 -0.865 . . . . 0.0 109.67 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.469 ' CD1' ' OE1' ' B' ' 6' ' ' GLN . 96.7 mt -56.7 -55.16 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.082 -1.011 . . . . 0.0 109.478 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.427 ' C ' ' O ' ' B' ' 10' ' ' ILE . 69.3 m -41.16 -45.87 2.91 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 120.086 -1.634 . . . . 0.0 110.994 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.8 m -60.92 -44.47 97.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.0 109.456 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -54.59 -43.46 72.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.6 mm -60.46 -47.74 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.274 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 tp -66.51 -33.09 74.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -58.72 -56.67 19.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.181 -0.949 . . . . 0.0 109.727 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.19 72.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.129 -0.982 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.488 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -48.88 -51.29 30.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.034 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.454 ' C ' ' ND1' ' B' ' 19' ' ' HIS . 10.5 t-80 -64.95 -40.75 95.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.222 -0.924 . . . . 0.0 109.761 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.24 -49.74 76.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.102 -0.999 . . . . 0.0 109.667 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -71.44 -44.49 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.06 -1.025 . . . . 0.0 109.393 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.32 86.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.202 -0.936 . . . . 0.0 109.61 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 47.0 t-105 -67.21 -44.37 79.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.206 -0.934 . . . . 0.0 109.189 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 40.0 m -63.09 -34.29 77.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.579 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.06 -61.3 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.009 -1.057 . . . . 0.0 109.76 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.08 -36.55 74.91 Favored Glycine 0 N--CA 1.503 3.165 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.403 ' NE2' ' OE1' ' B' ' 30' ' ' GLN . 11.9 t-160 -65.76 -33.14 75.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.546 -1.561 . . . . 0.0 109.048 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -47.87 -48.03 31.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.415 -0.803 . . . . 0.0 109.105 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -49.51 -46.28 48.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.165 -0.959 . . . . 0.0 109.244 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.403 ' OE1' ' NE2' ' B' ' 27' ' ' HIS . 42.3 tt0 -55.24 -35.94 65.48 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.237 -0.914 . . . . 0.0 108.654 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mt -92.51 52.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.44 -0.788 . . . . 0.0 108.945 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -157.65 -64.82 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.493 -0.754 . . . . 0.0 109.417 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.486 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.468 ' H ' ' HB3' ' C' ' 5' ' ' PHE . 42.1 mt 67.52 -52.84 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.826 -0.546 . . . . 0.0 111.097 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 2.6 tt0 -67.76 -50.3 34.9 Favored Pre-proline 0 N--CA 1.488 1.448 0 O-C-N 120.401 -1.437 . . . . 0.0 108.734 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 50.4 Cg_endo -103.79 -4.94 0.22 Allowed 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 123.236 2.624 . . . . 0.0 112.621 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.468 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 28.9 t80 -108.08 -64.21 1.24 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.278 -0.889 . . . . 0.0 111.121 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -52.94 -28.47 23.7 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.625 -1.297 . . . . 0.0 109.592 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 tt -71.61 -19.42 20.41 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.42 ' C ' HD23 ' C' ' 8' ' ' LEU . 7.5 tt -81.92 -49.49 10.25 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t -55.68 -41.64 74.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.85 . . . . 0.0 109.128 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' C' ' 11' ' ' SER . 84.9 mt -71.58 -52.87 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.364 -0.835 . . . . 0.0 109.322 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' ILE . 70.9 m -43.37 -50.2 6.84 Favored 'General case' 0 C--O 1.205 -1.279 0 O-C-N 120.1 -1.625 . . . . 0.0 111.006 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -59.69 -44.74 93.52 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.657 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -51.35 -52.81 42.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.907 . . . . 0.0 109.516 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 93.5 mt -53.83 -45.03 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.541 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.538 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.2 tt -65.88 -39.02 90.29 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 0.0 109.317 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -51.21 -47.69 62.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.006 . . . . 0.0 109.74 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.35 78.38 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.108 -0.995 . . . . 0.0 109.402 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.3 -42.36 77.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.245 -0.91 . . . . 0.0 109.037 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.66 -45.67 93.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.641 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -56.81 -55.42 34.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.43 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.0 -59.73 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.26 -0.9 . . . . 0.0 109.245 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.93 -28.46 1.13 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.972 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -71.93 -44.11 64.16 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.158 -0.964 . . . . 0.0 109.695 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -63.42 -36.02 82.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.163 -0.961 . . . . 0.0 110.063 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.592 ' N ' HD12 ' C' ' 25' ' ' ILE . 1.8 mp -79.64 -57.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.831 -1.168 . . . . 0.0 109.401 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.88 -34.51 71.81 Favored Glycine 0 N--CA 1.503 3.163 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.195 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -76.37 -49.45 16.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.528 -1.572 . . . . 0.0 109.531 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.5 -38.94 93.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.47 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . 0.532 ' ND2' ' NE2' ' D' ' 30' ' ' GLN . 51.7 t-20 -50.45 -38.84 45.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -55.32 -48.73 73.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.183 -0.948 . . . . 0.0 109.238 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.85 58.23 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-O 122.231 1.015 . . . . 0.0 108.486 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -160.75 -74.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.781 -1.199 . . . . 0.0 109.463 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.498 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' D' ' 2' ' ' LEU . 1.3 mm? -83.48 -61.41 1.85 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' D' ' 5' ' ' PHE . 18.8 pt-20 -169.62 -173.67 0.28 Allowed Pre-proline 0 N--CA 1.488 1.468 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 -178.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -46.01 -5.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.475 1.45 . . . . 0.0 113.145 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' D' ' 3' ' ' GLU . 54.5 t80 -86.56 -65.23 1.04 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.94 -1.1 . . . . 0.0 109.276 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -50.48 -56.1 13.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.083 -1.011 . . . . 0.0 110.507 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 C-N-CA 119.698 -0.801 . . . . 0.0 110.068 -178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tt -81.8 -34.26 30.39 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.779 -1.2 . . . . 0.0 109.512 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -63.26 -46.37 87.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.463 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.92 -49.79 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.053 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -44.55 -49.01 10.29 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 119.74 -1.85 . . . . 0.0 110.986 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -65.69 -42.51 91.13 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.791 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -53.12 -49.6 66.17 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 110.193 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 29.7 pt -66.23 -31.82 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.93 -1.106 . . . . 0.0 109.64 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.56 -35.83 65.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -62.34 -60.54 3.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 110.275 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.35 -39.54 76.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.03 -1.044 . . . . 0.0 109.563 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 39.1 tp -57.18 -35.32 69.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.176 -0.953 . . . . 0.0 109.216 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -77.89 -35.92 50.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.19 -0.944 . . . . 0.0 109.595 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.99 -46.15 75.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . 0.488 HG23 ' N ' ' D' ' 22' ' ' ALA . 21.1 tt -71.42 -39.79 71.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.155 -0.965 . . . . 0.0 109.893 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . 0.488 ' N ' HG23 ' D' ' 21' ' ' ILE . . . -68.42 -41.82 79.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.182 -0.948 . . . . 0.0 109.803 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -62.78 -45.26 93.49 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.129 -0.982 . . . . 0.0 109.682 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -63.75 -33.38 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.0 110.079 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' D' ' 29' ' ' ASN . 96.9 mt -81.35 -57.59 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.925 -1.109 . . . . 0.0 109.995 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.05 -35.7 91.16 Favored Glycine 0 N--CA 1.504 3.232 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.371 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -71.3 -47.53 56.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.436 -1.626 . . . . 0.0 109.072 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.67 -39.17 87.42 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.247 -0.908 . . . . 0.0 108.853 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' D' ' 25' ' ' ILE . 24.8 m120 -57.98 -38.86 76.86 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 109.319 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . 0.532 ' NE2' ' ND2' ' C' ' 29' ' ' ASN . 54.5 tt0 -59.93 -42.77 94.68 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.223 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 pt -94.65 56.07 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -155.61 -55.38 0.09 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.41 -0.806 . . . . 0.0 109.38 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.356 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 23.0 ttt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' H ' ' HB3' ' A' ' 5' ' ' PHE . 2.3 tt 80.43 -61.28 0.26 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.735 -0.603 . . . . 0.0 110.171 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.39 -51.14 70.15 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 120.405 -1.434 . . . . 0.0 109.321 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -95.66 -28.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.624 2.216 . . . . 0.0 112.595 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.484 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 44.6 t80 -81.47 -43.81 18.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.186 -0.946 . . . . 0.0 110.958 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 8' ' ' LEU . 47.9 tt0 -45.99 -65.06 0.6 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.86 -1.15 . . . . 0.0 110.086 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 tp -44.98 -22.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.099 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.0 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.5 tt -74.75 -41.71 59.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.942 -1.099 . . . . 0.0 108.403 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.0 p -62.45 -39.02 92.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.575 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.5 mp -62.29 -59.31 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.084 -1.01 . . . . 0.0 109.009 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' ILE . 75.3 m -43.72 -42.19 5.27 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 120.143 -1.598 . . . . 0.0 111.009 179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -70.7 -45.16 65.5 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.679 -1.263 . . . . 0.0 109.393 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -59.67 -46.2 89.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.617 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.74 -41.04 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.234 -0.916 . . . . 0.0 109.622 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.1 tt -72.68 -39.9 66.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 m -53.59 -45.99 70.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.063 -1.023 . . . . 0.0 109.956 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.94 -49.02 50.17 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.135 -0.978 . . . . 0.0 109.596 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.3 tp -55.68 -38.2 69.33 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.196 -0.94 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.48 -40.33 92.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.205 -0.934 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.44 -52.52 64.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.112 -0.993 . . . . 0.0 109.823 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.9 mt -70.08 -39.18 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 109.769 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.96 85.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.0 109.76 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -66.87 -44.74 80.16 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.0 109.646 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 m -65.11 -33.99 77.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.152 -0.968 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.97 -57.74 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.948 -1.095 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.67 -34.33 89.3 Favored Glycine 0 N--CA 1.503 3.148 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.247 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.48 -49.61 31.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.472 -1.605 . . . . 0.0 109.354 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.31 -35.49 62.7 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -58.24 -33.77 69.72 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.223 -0.923 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.74 -47.96 83.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.49 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 31' ' ' ILE . 12.8 tt -91.53 55.88 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.189 -0.944 . . . . 0.0 109.135 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -157.14 -76.0 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.037 -1.039 . . . . 0.0 109.289 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.455 179.827 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 27.1 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' B' ' 1' ' ' MET . 3.1 tt 81.86 -59.19 0.22 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.839 -0.538 . . . . 0.0 110.126 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.7 tt0 -68.15 -48.58 37.22 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 120.44 -1.413 . . . . 0.0 109.49 -179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 42.4 Cg_endo -98.07 -15.34 0.27 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.946 2.431 . . . . 0.0 112.587 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.45 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 23.0 t80 -99.13 -40.82 7.8 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -46.32 -67.18 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.788 -1.195 . . . . 0.0 110.596 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.1 tt -58.45 -19.97 15.05 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.236 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.488 HD13 ' O ' ' B' ' 8' ' ' LEU . 0.4 OUTLIER -71.58 -54.68 9.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 108.925 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -59.51 -31.34 69.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.32 -59.89 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -44.85 -49.3 10.94 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 120.42 -1.425 . . . . 0.0 110.965 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 45.8 t -64.32 -40.94 96.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.868 -1.145 . . . . 0.0 109.478 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.91 -43.83 91.54 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.656 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.05 -52.13 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.152 -0.968 . . . . 0.0 109.454 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 15' ' ' LEU . 2.3 tt -61.82 -44.65 96.43 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.262 -0.899 . . . . 0.0 109.064 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -45.99 -57.12 4.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 0.0 109.822 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.79 93.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.175 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.469 ' O ' HD13 ' B' ' 18' ' ' LEU . 0.3 OUTLIER -49.74 -53.97 21.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.384 -0.823 . . . . 0.0 109.03 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -36.94 76.0 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -61.72 -48.75 79.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.086 -1.009 . . . . 0.0 109.565 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm -69.75 -43.77 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.149 -0.969 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.18 98.75 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.712 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -63.28 -45.48 91.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.223 -0.923 . . . . 0.0 109.472 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -63.15 -33.94 76.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -0.931 . . . . 0.0 109.842 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -80.23 -58.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.92 -1.113 . . . . 0.0 110.057 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.54 76.94 Favored Glycine 0 N--CA 1.503 3.121 0 C-N-CA 119.88 -1.153 . . . . 0.0 110.504 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -54.21 -38.93 66.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.405 -1.644 . . . . 0.0 109.512 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.7 mt -52.27 -42.62 63.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.147 -0.971 . . . . 0.0 109.666 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -49.87 -44.2 49.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.139 -0.976 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -57.84 -34.59 69.86 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.221 -0.924 . . . . 0.0 108.699 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -91.29 49.85 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.364 -0.835 . . . . 0.0 109.024 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -170.81 39.37 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.453 -0.779 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.438 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.54 ' H2 ' ' HB3' ' C' ' 6' ' ' GLN . 13.1 mmt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.963 ' H ' HD22 ' C' ' 2' ' ' LEU . 0.9 OUTLIER -74.45 -130.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.764 ' H ' ' CD ' ' C' ' 4' ' ' PRO . 1.3 mt-10 -141.24 -42.64 0.02 OUTLIER Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 120.341 -1.474 . . . . 0.0 109.615 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.764 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 77.6 Cg_endo -99.68 -7.41 0.47 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.856 2.37 . . . . 0.0 111.904 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -106.16 -63.03 1.3 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.436 -0.79 . . . . 0.0 111.0 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.623 HE22 ' C ' ' C' ' 3' ' ' GLU . 1.5 pm0 -52.07 -26.81 11.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.912 -1.118 . . . . 0.0 109.836 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.607 ' H ' ' NE2' ' C' ' 6' ' ' GLN . 8.2 tp -72.04 -23.36 21.78 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 tt -74.0 -43.25 58.69 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -69.54 -52.05 29.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.429 -0.794 . . . . 0.0 109.453 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 89.5 mt -53.62 -39.74 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.4 m -67.71 -44.73 76.99 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 119.969 -1.707 . . . . 0.0 111.008 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 8.0 t -62.45 -24.32 67.37 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.364 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -76.96 -63.78 1.28 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.766 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.88 -32.81 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.179 -0.951 . . . . 0.0 109.685 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.56 -38.64 59.07 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.228 -0.92 . . . . 0.0 109.505 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -55.69 -54.63 41.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -0.89 . . . . 0.0 109.954 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.95 97.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.113 -0.992 . . . . 0.0 109.619 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 tp -48.26 -46.22 35.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.885 . . . . 0.0 109.665 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -67.63 -33.96 76.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.897 . . . . 0.0 110.163 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -60.58 -48.95 79.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 pt -72.49 -31.49 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.108 -0.995 . . . . 0.0 110.143 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.443 ' CB ' ' HE1' ' D' ' 23' ' ' TRP . . . -73.05 -25.07 60.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.034 -1.041 . . . . 0.0 109.603 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -77.42 -47.97 18.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.295 -0.878 . . . . 0.0 109.697 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -67.41 -33.28 74.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.173 -0.954 . . . . 0.0 109.854 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 94.3 mt -75.41 -54.58 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.894 -1.129 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.45 -33.44 86.49 Favored Glycine 0 N--CA 1.502 3.046 0 C-N-CA 119.605 -1.283 . . . . 0.0 109.933 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -76.12 -48.79 19.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.582 -1.54 . . . . 0.0 109.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.77 -41.99 91.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -58.17 -37.67 75.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.052 -1.03 . . . . 0.0 109.738 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.55 -50.43 73.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 109.533 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.596 HG23 ' O ' ' C' ' 31' ' ' ILE . 3.1 tp -90.01 56.08 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.23 -0.919 . . . . 0.0 109.241 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -154.73 -28.97 0.11 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.99 -1.069 . . . . 0.0 109.556 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.458 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.529 ' O ' ' CB ' ' D' ' 2' ' ' LEU . 58.2 mtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' D' ' 1' ' ' MET . 2.0 tt 87.7 -65.14 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 122.011 -0.431 . . . . 0.0 110.997 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' D' ' 4' ' ' PRO . 1.5 mt-10 -72.11 -42.85 9.91 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.233 -1.542 . . . . 0.0 110.021 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' D' ' 3' ' ' GLU . 50.2 Cg_endo -100.53 -12.84 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 123.269 2.646 . . . . 0.0 113.026 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.441 ' HB3' ' H ' ' D' ' 2' ' ' LEU . 41.3 t80 -106.83 -60.02 1.73 Allowed 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.211 -0.931 . . . . 0.0 111.235 -178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -54.74 -27.74 43.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.648 -1.282 . . . . 0.0 110.297 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -71.98 -20.54 20.38 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.499 HD23 ' C ' ' D' ' 8' ' ' LEU . 6.0 tt -80.97 -51.9 8.02 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 45.2 t -57.23 -53.03 62.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.312 -0.868 . . . . 0.0 109.687 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -59.46 -53.94 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.149 -0.97 . . . . 0.0 109.672 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -45.32 -43.83 11.08 Favored 'General case' 0 C--O 1.208 -1.097 0 O-C-N 119.877 -1.765 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -62.68 -46.79 86.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.45 -0.782 . . . . 0.0 109.839 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.73 -48.17 80.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 109.535 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -58.26 -45.05 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 0.0 109.736 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.533 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.0 OUTLIER -67.67 -41.89 83.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 0.0 109.201 -179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -47.79 -49.86 27.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 109.973 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.67 -52.32 52.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.74 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.89 -49.75 62.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.897 . . . . 0.0 109.517 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -63.33 -38.25 90.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.227 -0.921 . . . . 0.0 109.804 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -56.91 -50.58 72.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 109.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.63 -40.55 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.205 -0.934 . . . . 0.0 109.968 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.84 -29.4 70.36 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.0 109.997 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . 0.443 ' HE1' ' CB ' ' C' ' 22' ' ' ALA . 45.6 t-105 -78.76 -44.72 22.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.938 . . . . 0.0 109.572 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 56.2 m -63.01 -33.74 76.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.0 109.85 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.17 -60.85 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.889 -1.132 . . . . 0.0 110.017 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.03 -34.22 87.06 Favored Glycine 0 N--CA 1.503 3.158 0 C-N-CA 119.737 -1.221 . . . . 0.0 110.165 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.23 -50.02 30.64 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.483 -1.598 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.03 -44.13 93.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 0.0 109.483 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -54.07 -41.6 68.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.221 -0.924 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -56.21 -44.99 80.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.212 -0.93 . . . . 0.0 109.401 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -93.56 56.96 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.207 -0.933 . . . . 0.0 109.574 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -157.6 -65.17 0.09 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.373 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.325 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.62 ' H1 ' HD12 ' A' ' 10' ' ' ILE . 14.0 tpt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.1 mm? -67.94 -88.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.013 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.771 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 9.0 pt-20 177.57 -24.13 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.111 -0.993 . . . . 0.0 111.93 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 43.5 Cg_endo -97.19 -54.88 0.01 OUTLIER 'Trans proline' 0 N--CA 1.483 0.863 0 C-N-CA 121.64 1.56 . . . . 0.0 112.918 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -119.1 -46.37 2.52 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.952 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.455 ' HB2' ' H ' ' A' ' 2' ' ' LEU . 26.2 mm100 -57.61 -22.15 43.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.742 -1.224 . . . . 0.0 110.206 -178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 tt -74.28 -20.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 O-C-N 121.505 -0.747 . . . . 0.0 109.396 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.53 -48.53 9.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 108.7 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -49.08 71.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.62 HD12 ' H1 ' ' A' ' 1' ' ' MET . 62.5 mt -72.76 -55.14 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.05 -1.031 . . . . 0.0 109.711 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 10' ' ' ILE . 71.0 m -43.08 -49.85 6.18 Favored 'General case' 0 C--O 1.207 -1.174 0 O-C-N 119.938 -1.726 . . . . 0.0 110.995 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.2 t -63.58 -43.21 97.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.397 -0.814 . . . . 0.0 109.839 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -58.04 -48.28 80.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.803 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.44 -42.04 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.112 -0.993 . . . . 0.0 109.452 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.52 -38.19 71.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.247 -0.908 . . . . 0.0 109.091 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.4 m -51.2 -42.94 61.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.178 -0.951 . . . . 0.0 109.777 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.67 59.01 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.119 -0.988 . . . . 0.0 109.579 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.3 tp -56.6 -42.2 78.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.507 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -67.83 -36.47 80.43 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.116 -0.99 . . . . 0.0 109.792 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.47 -48.82 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.167 -0.958 . . . . 0.0 109.787 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.07 -41.16 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.149 -0.969 . . . . 0.0 109.807 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -34.94 79.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.685 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -74.04 -43.93 56.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -64.36 -36.6 84.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.194 -0.941 . . . . 0.0 110.128 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.6 mt -76.99 -55.74 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 120.774 -1.204 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.42 86.55 Favored Glycine 0 N--CA 1.502 3.063 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -72.73 -45.45 58.62 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.563 -1.551 . . . . 0.0 109.42 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.82 -31.98 65.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.395 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.19 -39.63 93.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 109.618 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -55.86 -45.46 78.48 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.258 -0.901 . . . . 0.0 109.494 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 31' ' ' ILE . 15.1 tt -93.63 55.92 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.161 -0.962 . . . . 0.0 108.799 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 33' ' ' ARG . 47.9 tttp -157.01 -73.32 0.1 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.136 -0.978 . . . . 0.0 109.327 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 32' ' ' LYS . 55.5 ttt85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.507 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' B' ' 2' ' ' LEU . 61.3 mtt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 1' ' ' MET . 2.9 tt 81.99 -60.55 0.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.895 -0.503 . . . . 0.0 110.086 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.414 ' N ' ' CD ' ' B' ' 4' ' ' PRO . 1.3 mt-10 -65.14 -50.54 60.24 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 120.453 -1.404 . . . . 0.0 109.185 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 3' ' ' GLU . 31.7 Cg_endo -95.55 -27.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.805 2.337 . . . . 0.0 112.575 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.478 ' HB3' ' H ' ' B' ' 2' ' ' LEU . 25.7 t80 -83.2 -44.51 14.94 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.202 -0.936 . . . . 0.0 110.97 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -45.44 -63.98 0.83 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.963 -1.085 . . . . 0.0 110.249 -178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 tt -46.99 -22.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.044 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.532 HD23 ' O ' ' B' ' 8' ' ' LEU . 1.2 tt -74.71 -43.42 55.18 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.013 -1.055 . . . . 0.0 108.577 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -60.34 -41.5 93.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.314 -0.866 . . . . 0.0 109.689 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.551 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.9 mp -61.0 -59.58 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.083 -1.01 . . . . 0.0 109.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 10' ' ' ILE . 75.6 m -43.64 -39.79 3.77 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 120.045 -1.659 . . . . 0.0 110.977 179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -60.54 -42.75 97.16 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.815 -1.178 . . . . 0.0 109.14 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -62.57 -38.02 88.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 109.751 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 24.0 mm -62.31 -46.99 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.732 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -66.22 -30.91 71.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.94 . . . . 0.0 109.633 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 54.9 m -60.29 -53.42 57.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.975 . . . . 0.0 109.9 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -50.48 62.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 109.573 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 27.0 tp -51.18 -42.27 60.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.0 109.446 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -70.77 -35.96 72.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.562 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -66.58 -56.71 9.5 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.593 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -61.51 -35.11 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 109.401 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.56 -44.15 68.01 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.777 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -64.43 -44.7 90.36 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.199 -0.938 . . . . 0.0 109.527 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 95.1 m -61.07 -32.92 72.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.128 -0.983 . . . . 0.0 109.902 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.5 mt -83.84 -59.47 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.886 -1.134 . . . . 0.0 110.192 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.12 -34.28 72.6 Favored Glycine 0 N--CA 1.504 3.2 0 C-N-CA 119.859 -1.162 . . . . 0.0 110.71 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.477 ' O ' ' ND1' ' B' ' 27' ' ' HIS . 8.0 t-80 -55.34 -35.18 64.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.401 -1.647 . . . . 0.0 109.658 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.05 -35.9 71.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.638 HD22 ' N ' ' B' ' 29' ' ' ASN . 1.3 m120 -49.54 -40.32 37.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.139 -0.975 . . . . 0.0 109.045 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -63.75 -34.01 76.94 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.2 mt -85.75 43.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.435 -0.791 . . . . 0.0 109.126 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -97.05 -59.34 1.81 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.567 -0.708 . . . . 0.0 109.532 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.519 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.49 ' O ' ' CB ' ' C' ' 2' ' ' LEU . 12.2 ttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' C' ' 1' ' ' MET . 2.6 tt 82.23 -58.52 0.2 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.86 -0.525 . . . . 0.0 110.076 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' C' ' 4' ' ' PRO . 0.6 OUTLIER -68.27 -49.69 32.14 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 120.463 -1.398 . . . . 0.0 109.264 -179.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' C' ' 3' ' ' GLU . 37.3 Cg_endo -96.4 -23.03 0.14 Allowed 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.842 2.362 . . . . 0.0 112.562 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . 0.48 ' HB3' ' H ' ' C' ' 2' ' ' LEU . 35.4 t80 -88.01 -45.68 10.0 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.13 -0.982 . . . . 0.0 110.828 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.483 ' OE1' ' CG1' ' C' ' 10' ' ' ILE . 1.4 tm0? -44.77 -62.45 1.21 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.0 -1.063 . . . . 0.0 110.612 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.43 -21.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.298 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' C' ' 8' ' ' LEU . 1.1 tt -70.43 -47.5 60.44 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.802 -1.186 . . . . 0.0 108.684 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -63.34 -31.01 72.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.102 -0.999 . . . . 0.0 109.803 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.483 ' CG1' ' OE1' ' C' ' 6' ' ' GLN . 35.5 mm -63.73 -59.55 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.065 -1.022 . . . . 0.0 110.101 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -49.83 -43.92 49.08 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 120.192 -1.568 . . . . 0.0 110.981 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -65.0 -40.46 94.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.531 -1.356 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.77 -46.47 78.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.335 -0.853 . . . . 0.0 109.515 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -58.48 -42.29 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.33 -0.856 . . . . 0.0 109.612 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.53 ' O ' HD23 ' C' ' 15' ' ' LEU . 1.0 OUTLIER -69.61 -41.72 75.33 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.916 . . . . 0.0 109.433 -179.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 82.5 p -49.82 -50.56 44.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.0 109.781 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.97 -48.72 75.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.0 109.395 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.46 -46.75 70.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.915 . . . . 0.0 108.998 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -61.96 -35.43 78.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 109.411 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -62.68 -50.33 71.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -0.867 . . . . 0.0 109.725 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.06 -45.88 47.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 0.0 109.922 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.77 73.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.928 . . . . 0.0 109.706 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -66.66 -46.29 76.19 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.183 -0.948 . . . . 0.0 109.535 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 46.2 m -60.94 -32.88 72.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.123 -0.985 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.65 -64.77 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.008 -1.058 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.04 -35.86 88.65 Favored Glycine 0 N--CA 1.503 3.152 0 C-N-CA 119.644 -1.265 . . . . 0.0 110.17 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -70.07 -49.64 49.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.465 -1.609 . . . . 0.0 109.355 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.12 -35.13 80.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.335 -0.853 . . . . 0.0 109.488 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -56.7 -35.57 68.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.071 -1.018 . . . . 0.0 109.664 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.25 -51.08 70.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.203 -0.936 . . . . 0.0 109.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.45 HG23 ' O ' ' C' ' 31' ' ' ILE . 13.1 tt -85.28 49.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.156 -0.965 . . . . 0.0 109.04 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -103.99 -45.32 4.78 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.374 -0.829 . . . . 0.0 109.217 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.55 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.625 ' H ' HE21 ' D' ' 6' ' ' GLN . 5.3 tp -76.77 -135.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.178 -0.951 . . . . 0.0 108.889 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.445 ' CB ' ' CD ' ' D' ' 4' ' ' PRO . 11.5 mt-10 -149.43 -67.08 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 120.286 -1.509 . . . . 0.0 109.472 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' D' ' 3' ' ' GLU . 55.8 Cg_endo -66.72 -42.26 9.36 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.27 1.98 . . . . 0.0 112.335 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . 0.415 ' H ' HD23 ' D' ' 2' ' ' LEU . 80.5 t80 -84.18 -42.0 16.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.138 -0.976 . . . . 0.0 109.863 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . 0.625 HE21 ' H ' ' D' ' 2' ' ' LEU . 9.6 tp-100 -48.69 -53.27 19.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 tt -57.73 -20.27 13.78 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.104 0 CA-C-O 121.264 0.554 . . . . 0.0 109.841 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 8' ' ' LEU . 3.4 tt -71.49 -48.57 48.23 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -57.95 -42.07 84.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.396 -0.815 . . . . 0.0 109.42 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' D' ' 11' ' ' SER . 28.0 mm -54.32 -59.6 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.072 -1.018 . . . . 0.0 109.137 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.412 ' C ' ' O ' ' D' ' 10' ' ' ILE . 70.7 m -43.95 -48.05 8.57 Favored 'General case' 0 C--O 1.206 -1.187 0 O-C-N 120.13 -1.606 . . . . 0.0 110.973 179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -60.45 -40.59 91.68 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.684 -0.807 . . . . 0.0 109.584 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -62.7 -42.96 99.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.634 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.07 -39.4 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.487 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.563 HD23 ' O ' ' D' ' 15' ' ' LEU . 1.6 tt -72.15 -43.44 64.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.0 109.299 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -50.39 -47.78 56.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 110.17 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.07 80.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.173 -0.954 . . . . 0.0 109.767 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.54 -49.48 75.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.901 . . . . 0.0 109.405 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -62.46 -36.6 82.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.182 -0.949 . . . . 0.0 109.718 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.16 -50.99 71.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.946 . . . . 0.0 109.773 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ILE . . . . . . . . . . . . . 91.9 mt -74.49 -37.62 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.203 -0.936 . . . . 0.0 109.807 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.14 -32.55 73.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -71.55 -46.63 58.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.714 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -62.33 -32.35 73.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.795 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.06 -61.51 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.968 -1.083 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.86 88.37 Favored Glycine 0 N--CA 1.503 3.14 0 C-N-CA 119.617 -1.277 . . . . 0.0 109.976 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -72.17 -57.3 4.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.501 -1.588 . . . . 0.0 109.152 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.28 -44.4 75.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.287 -0.883 . . . . 0.0 108.959 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -57.3 -40.26 77.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.342 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.33 -44.74 88.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.56 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 18.2 pt -90.27 52.68 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -159.47 -52.56 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.501 -0.749 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.433 179.947 . . . . . . . . 0 0 . 1 stop_ save_