data_2kdr_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 2kdr _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 ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.042 0 CA-C-O 120.961 0.41 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.25 96.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.805 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.74 90.53 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.538 -0.726 . . . . 0.0 109.718 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -62.08 -36.43 81.65 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.526 -0.734 . . . . 0.0 109.537 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.421 ' HA ' HD13 ' X' ' 10' ' ' ILE . 83.0 t -63.72 -39.81 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -68.25 -36.59 79.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.595 -0.691 . . . . 0.0 109.711 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.54 94.23 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.783 -0.573 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' X' ' 7' ' ' VAL . 53.0 mt -56.97 -42.04 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.64 -39.67 88.38 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.764 -0.585 . . . . 0.0 110.192 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -59.61 -44.39 93.43 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.67 -0.644 . . . . 0.0 110.257 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 45.5 m -62.83 -39.07 93.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.611 -0.681 . . . . 0.0 109.903 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -42.26 94.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.673 -0.642 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -57.58 -42.51 83.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.91 -42.89 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.668 -0.645 . . . . 0.0 109.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.4 ' HA ' HD11 ' X' ' 20' ' ' LEU . 17.3 m -60.15 -39.47 86.45 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.495 -0.753 . . . . 0.0 110.121 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.15 -46.02 85.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.525 -0.734 . . . . 0.0 110.276 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -38.71 72.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' X' ' 17' ' ' THR . 19.2 mt -66.45 -40.22 89.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.7 -0.625 . . . . 0.0 109.811 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -62.02 -41.2 97.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.522 -0.737 . . . . 0.0 109.996 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.19 95.94 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.61 -0.681 . . . . 0.0 109.767 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.83 -45.74 92.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -65.04 -39.37 93.23 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.673 . . . . 0.0 109.888 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.75 -36.6 74.6 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.528 -0.733 . . . . 0.0 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -72.47 -37.56 68.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.506 -0.746 . . . . 0.0 110.054 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.48 -43.91 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.513 -0.742 . . . . 0.0 110.374 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.461 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.981 0 CA-C-O 120.817 0.342 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.96 97.52 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 0.0 110.017 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.82 85.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 109.802 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -36.78 82.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 109.346 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.3 -39.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.1 -36.49 82.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.646 -0.659 . . . . 0.0 109.919 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.78 94.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.68 -0.638 . . . . 0.0 110.169 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.57 -41.4 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -37.76 86.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.794 -0.567 . . . . 0.0 110.231 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -45.67 90.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.681 -0.637 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -64.39 -37.64 88.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.467 -0.771 . . . . 0.0 109.455 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.07 -36.66 82.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.67 -0.644 . . . . 0.0 109.851 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -59.07 -43.62 91.78 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.593 -0.692 . . . . 0.0 109.519 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.85 -47.94 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.625 -0.672 . . . . 0.0 109.225 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.487 ' HA ' HD12 ' X' ' 20' ' ' LEU . 6.4 m -62.35 -39.06 91.9 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.666 -0.647 . . . . 0.0 109.739 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -63.67 -44.32 94.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.412 -0.805 . . . . 0.0 109.966 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.68 -37.58 65.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' X' ' 17' ' ' THR . 3.2 mt -66.8 -43.28 84.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.496 -0.752 . . . . 0.0 109.765 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -39.3 80.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.378 -0.826 . . . . 0.0 109.985 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.68 95.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.543 -0.723 . . . . 0.0 109.815 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.84 -40.54 83.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.456 -0.777 . . . . 0.0 109.987 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -62.88 -39.98 96.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.553 -0.717 . . . . 0.0 110.3 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -37.35 84.84 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.762 . . . . 0.0 109.981 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -70.25 -29.92 66.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.448 -0.782 . . . . 0.0 110.183 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -83.83 -52.02 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.366 -0.834 . . . . 0.0 110.027 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.823 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.981 0.419 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.0 92.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.456 -0.777 . . . . 0.0 110.099 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.7 98.45 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.49 -0.756 . . . . 0.0 110.388 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' X' ' 7' ' ' VAL . 0.0 OUTLIER -63.28 -33.22 75.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 179.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.521 ' N ' ' HG3' ' X' ' 6' ' ' ARG . 99.6 t -64.45 -39.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -65.2 -37.34 87.01 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.596 -0.69 . . . . 0.0 109.557 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.63 85.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.731 -0.606 . . . . 0.0 110.24 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mm -60.09 -40.2 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.42 -40.65 93.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.752 -0.592 . . . . 0.0 109.69 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m -69.17 -43.51 74.11 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.789 -0.57 . . . . 0.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.1 m -61.33 -34.9 76.03 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.63 -0.668 . . . . 0.0 110.222 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -35.92 73.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.627 -0.671 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -60.54 -45.23 94.62 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.459 -0.776 . . . . 0.0 109.97 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.2 -42.16 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.533 -0.729 . . . . 0.0 109.679 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -60.23 -39.9 88.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -0.816 . . . . 0.0 110.108 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -41.89 99.43 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.467 -0.771 . . . . 0.0 109.992 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.72 -42.42 93.03 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.54 -39.39 91.7 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -59.78 -37.64 79.63 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.544 -0.723 . . . . 0.0 109.706 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -45.8 91.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.595 -0.691 . . . . 0.0 109.411 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.61 -46.05 87.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.738 -0.601 . . . . 0.0 109.695 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -65.3 -40.51 93.89 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.597 -0.689 . . . . 0.0 109.7 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.77 -35.06 73.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.621 -0.674 . . . . 0.0 109.792 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -69.68 -33.49 72.63 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.516 -0.74 . . . . 0.0 109.585 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mm -75.7 -39.32 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.544 -0.722 . . . . 0.0 109.961 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.339 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 120.91 0.385 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.4 96.35 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.506 -0.747 . . . . 0.0 110.415 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.3 90.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.423 -0.798 . . . . 0.0 110.053 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . 0.51 ' HA ' ' NE ' ' X' ' 6' ' ' ARG . 10.9 mmp_? -63.66 -35.7 81.42 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.218 -0.926 . . . . 0.0 109.378 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' X' ' 10' ' ' ILE . 91.8 t -63.09 -38.92 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -68.48 -36.47 78.99 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 109.559 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.69 88.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.792 -0.568 . . . . 0.0 110.336 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' X' ' 7' ' ' VAL . 41.7 mt -61.24 -41.34 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -39.95 90.42 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.17 0.509 . . . . 0.0 110.076 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.8 t -61.08 -44.28 97.6 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.729 -0.607 . . . . 0.0 110.092 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -62.92 -39.66 95.24 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.519 -0.738 . . . . 0.0 109.839 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -41.71 97.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.609 -0.682 . . . . 0.0 110.048 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -61.6 -41.44 97.44 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.575 -0.703 . . . . 0.0 109.987 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.03 -43.93 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.498 -0.751 . . . . 0.0 109.885 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -62.12 -40.57 96.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.506 -0.746 . . . . 0.0 110.163 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.59 -47.27 82.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.436 -0.79 . . . . 0.0 110.081 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.12 -39.78 66.73 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -40.7 94.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.825 -0.547 . . . . 0.0 109.672 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.65 -42.7 99.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.538 -0.726 . . . . 0.0 109.837 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -44.36 97.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.717 -0.614 . . . . 0.0 110.025 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.79 -42.27 88.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.84 -0.537 . . . . 0.0 110.091 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -63.33 -38.92 93.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.511 -0.743 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -34.52 78.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.51 -0.744 . . . . 0.0 110.067 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -69.29 -33.16 72.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.497 -0.752 . . . . 0.0 110.063 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.39 -40.26 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 0.0 109.885 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.132 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.037 0 CA-C-O 120.649 0.261 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.16 78.92 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.354 -0.841 . . . . 0.0 110.699 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.57 90.87 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.318 -0.864 . . . . 0.0 109.901 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.23 82.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.368 -0.833 . . . . 0.0 109.35 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.403 ' HA ' HD13 ' X' ' 10' ' ' ILE . 96.0 t -62.8 -39.37 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -67.21 -37.27 83.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.517 -0.739 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.97 92.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.685 -0.634 . . . . 0.0 110.228 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' X' ' 7' ' ' VAL . 48.1 mt -59.48 -40.93 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.97 -38.85 86.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.66 -0.65 . . . . 0.0 110.241 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.1 t -58.65 -45.58 89.01 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.835 -0.54 . . . . 0.0 110.703 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -68.89 -36.52 78.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.476 -0.765 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.27 -46.4 88.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.434 -0.791 . . . . 0.0 110.151 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 28.2 m -63.0 -40.4 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.459 -0.776 . . . . 0.0 109.945 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.06 -42.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.398 -0.813 . . . . 0.0 109.329 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -69.05 -42.38 76.37 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.486 -0.759 . . . . 0.0 109.718 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -41.28 99.22 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.552 -0.717 . . . . 0.0 110.263 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.76 -40.14 87.18 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.37 -39.69 85.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 110.188 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -62.11 -44.72 96.04 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.454 -0.779 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -60.89 -46.99 88.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.644 -0.66 . . . . 0.0 109.883 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.4 -38.85 88.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.56 -41.42 85.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.551 -0.718 . . . . 0.0 110.178 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.95 -38.19 79.28 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 0.0 109.894 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -62.05 -32.03 72.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.48 -0.763 . . . . 0.0 110.11 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -78.86 -31.5 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.433 -0.792 . . . . 0.0 110.113 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.441 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' X' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 120.711 0.291 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.97 73.79 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.649 -0.657 . . . . 0.0 110.429 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.77 80.09 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.391 -0.818 . . . . 0.0 110.056 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' X' ' 3' ' ' ALA . 7.2 mtt180 -62.1 -37.85 86.64 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.339 -0.851 . . . . 0.0 109.305 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.11 -40.08 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.651 -0.656 . . . . 0.0 109.932 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.79 93.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.73 -0.606 . . . . 0.0 110.263 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.86 -40.01 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.34 -39.69 92.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.699 -0.626 . . . . 0.0 109.495 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -33.2 69.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.879 -0.513 . . . . 0.0 109.87 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -62.88 -39.93 95.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.11 -44.23 80.48 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.737 -0.602 . . . . 0.0 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -66.85 -40.13 87.8 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.412 -0.805 . . . . 0.0 109.974 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.74 -41.7 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.431 -0.793 . . . . 0.0 109.398 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 56.1 m -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.427 -0.796 . . . . 0.0 109.499 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.19 93.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 109.733 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.22 -39.67 79.68 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.94 -40.77 95.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.638 -0.664 . . . . 0.0 109.7 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.93 -43.27 91.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.53 -0.731 . . . . 0.0 109.854 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.65 -40.47 92.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.57 -0.706 . . . . 0.0 109.773 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.57 -39.38 83.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.743 . . . . 0.0 109.807 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . 0.531 ' HA ' HD12 ' X' ' 27' ' ' ILE . 0.3 OUTLIER -64.95 -39.9 94.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.674 -0.641 . . . . 0.0 109.538 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.37 79.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.659 . . . . 0.0 109.776 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -26.8 68.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.461 -0.775 . . . . 0.0 110.208 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' X' ' 24' ' ' HIS . 26.0 mt -82.21 -33.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.311 -0.868 . . . . 0.0 110.02 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.403 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 120.721 0.296 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.38 90.46 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.481 -0.762 . . . . 0.0 110.399 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.7 92.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 109.641 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.76 -35.99 81.61 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.423 -0.798 . . . . 0.0 109.165 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.8 t -63.91 -39.66 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -66.84 -36.89 83.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.539 -0.725 . . . . 0.0 109.732 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.82 95.61 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.796 -0.565 . . . . 0.0 110.111 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.4 mt -59.47 -40.3 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.52 -39.61 94.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.687 -0.633 . . . . 0.0 109.978 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -61.56 -42.5 98.93 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -67.43 -35.61 79.58 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.501 -0.749 . . . . 0.0 109.913 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -41.27 93.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.553 -0.717 . . . . 0.0 110.56 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -38.56 91.63 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.366 -0.834 . . . . 0.0 109.98 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.55 -42.14 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.331 -0.856 . . . . 0.0 109.482 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -64.48 -41.52 96.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.488 -0.757 . . . . 0.0 109.911 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.44 -41.06 96.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.359 -0.838 . . . . 0.0 110.497 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.44 -40.72 83.36 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . 0.493 ' HA ' HD21 ' X' ' 23' ' ' LEU . 6.8 tp -66.16 -39.96 90.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.713 -0.617 . . . . 0.0 109.855 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -65.53 -38.04 88.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.345 -0.847 . . . . 0.0 109.586 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -62.76 -46.32 88.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.657 -0.652 . . . . 0.0 110.23 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . 0.55 ' HG ' ' N ' ' X' ' 24' ' ' HIS . 0.3 OUTLIER -61.25 -34.78 75.7 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.633 -0.667 . . . . 0.0 109.937 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . 0.55 ' N ' ' HG ' ' X' ' 23' ' ' LEU . 4.8 t-80 -66.35 -39.69 89.33 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.259 -0.901 . . . . 0.0 109.556 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -33.77 76.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.676 . . . . 0.0 109.97 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -62.16 -38.74 90.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.469 -0.769 . . . . 0.0 109.733 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.65 -45.89 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.535 -0.728 . . . . 0.0 109.993 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.501 2.107 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.79 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.043 0 CA-C-O 120.818 0.342 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.75 99.67 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.549 -0.719 . . . . 0.0 109.977 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.15 86.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.524 -0.735 . . . . 0.0 109.73 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.84 -36.61 81.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.404 -0.81 . . . . 0.0 109.294 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.498 ' HA ' HD11 ' X' ' 10' ' ' ILE . 88.2 t -62.59 -39.63 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -67.08 -36.45 82.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 109.682 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.35 95.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.686 -0.633 . . . . 0.0 109.94 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' X' ' 7' ' ' VAL . 64.2 mt -57.26 -39.58 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' X' ' 14' ' ' LEU . 26.6 mt -63.06 -39.98 96.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.718 -0.614 . . . . 0.0 109.715 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -35.39 79.6 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.652 179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -67.66 -33.85 75.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' X' ' 11' ' ' LEU . 1.6 mt -65.04 -44.85 87.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.58 -0.7 . . . . 0.0 110.17 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.8 p -67.63 -39.54 84.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.539 -0.726 . . . . 0.0 109.944 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.23 -47.68 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.409 -0.807 . . . . 0.0 109.385 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -64.92 -38.16 90.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -40.8 82.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.7 . . . . 0.0 109.776 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.93 82.69 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -38.37 86.35 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.6 -36.13 71.33 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.752 -0.593 . . . . 0.0 109.862 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.96 90.19 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -40.86 97.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.644 -0.66 . . . . 0.0 109.417 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -65.17 -40.12 93.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.443 -0.786 . . . . 0.0 110.048 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.46 -36.7 78.88 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.453 -0.779 . . . . 0.0 109.696 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.63 -39.75 73.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.66 -0.65 . . . . 0.0 110.072 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mt -71.11 -43.46 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.655 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.002 0.43 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.32 96.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.581 -0.699 . . . . 0.0 110.038 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.78 86.71 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.493 -0.755 . . . . 0.0 109.711 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.8 86.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.583 -0.698 . . . . 0.0 109.402 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.72 -39.74 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.22 96.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.72 -0.613 . . . . 0.0 110.306 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mm -59.46 -41.38 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.4 -39.11 88.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.752 -0.593 . . . . 0.0 110.075 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -59.86 -41.35 91.28 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.813 -0.554 . . . . 0.0 110.28 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -40.81 97.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.487 -0.758 . . . . 0.0 109.935 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -44.49 93.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.517 -0.74 . . . . 0.0 109.527 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 25.1 m -58.26 -40.76 82.65 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.762 -0.586 . . . . 0.0 110.118 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.32 -43.89 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.517 -0.739 . . . . 0.0 109.935 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -40.92 99.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.455 -0.778 . . . . 0.0 110.088 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -43.88 93.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.548 -0.72 . . . . 0.0 110.2 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -38.85 74.16 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -38.87 90.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.595 -0.691 . . . . 0.0 109.65 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -44.6 97.06 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.491 -0.756 . . . . 0.0 109.652 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.75 82.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.635 -0.666 . . . . 0.0 109.882 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . 0.443 ' O ' HG12 ' X' ' 27' ' ' ILE . 14.1 tp -64.59 -46.55 82.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.6 -0.688 . . . . 0.0 110.193 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.66 -39.32 90.94 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.72 84.17 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.537 -0.727 . . . . 0.0 109.872 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -26.12 65.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.405 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . 0.443 HG12 ' O ' ' X' ' 23' ' ' LEU . 34.9 mm -84.82 -52.15 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.289 -0.882 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.761 -179.64 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.2 78.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.551 -0.718 . . . . 0.0 110.852 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -36.23 83.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.364 -0.835 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.82 -38.76 86.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.414 -0.804 . . . . 0.0 109.478 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.88 -39.69 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -67.27 -35.49 79.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.458 -0.776 . . . . 0.0 109.746 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.75 94.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.617 -0.677 . . . . 0.0 110.147 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 mm -61.97 -41.1 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -67.06 -39.56 86.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.779 -0.576 . . . . 0.0 109.784 178.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -59.87 -40.27 88.06 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.811 -0.555 . . . . 0.0 110.222 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -61.3 -41.58 97.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -42.49 98.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -60.98 -41.39 96.35 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.484 -0.76 . . . . 0.0 109.994 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.29 -44.03 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.588 -0.695 . . . . 0.0 109.834 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.422 ' HA ' HD13 ' X' ' 20' ' ' LEU . 42.9 m -59.23 -43.89 92.35 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.35 -0.844 . . . . 0.0 109.644 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -65.96 -42.75 89.55 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.569 -0.707 . . . . 0.0 109.988 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -38.89 69.14 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' X' ' 17' ' ' THR . 13.9 mt -65.73 -41.05 92.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.681 -0.637 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -46.29 70.79 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -0.76 . . . . 0.0 109.761 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -44.83 91.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.85 -39.14 88.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.459 -0.776 . . . . 0.0 110.128 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.58 -41.82 96.03 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.427 -0.796 . . . . 0.0 109.82 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.02 -35.23 77.95 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.449 -0.782 . . . . 0.0 109.867 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.95 -35.19 74.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.547 -0.72 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.27 -28.73 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 0.0 110.722 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.496 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 120.695 0.283 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.56 81.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.345 -0.847 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.27 91.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.301 -0.874 . . . . 0.0 110.143 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.01 -35.82 79.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.34 -0.85 . . . . 0.0 109.414 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' X' ' 10' ' ' ILE . 80.3 t -63.68 -39.38 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -66.8 -36.45 82.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.634 -0.666 . . . . 0.0 109.937 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.34 95.93 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.553 -0.717 . . . . 0.0 109.872 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.4 mt -61.51 -40.14 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -39.17 92.92 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.172 0.51 . . . . 0.0 110.242 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -58.49 -45.47 88.63 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.742 -0.599 . . . . 0.0 109.772 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -63.76 -35.55 80.95 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.562 -0.711 . . . . 0.0 109.195 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.9 81.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -55.9 -46.39 78.37 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.553 -0.717 . . . . 0.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.29 -45.52 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.49 -0.756 . . . . 0.0 109.422 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -65.63 -38.48 89.52 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.545 -0.722 . . . . 0.0 109.601 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -40.69 81.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.692 -0.63 . . . . 0.0 109.878 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.14 -41.05 78.37 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -40.3 94.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.857 -0.527 . . . . 0.0 109.762 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.86 -39.92 82.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.453 -0.779 . . . . 0.0 109.603 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.9 -49.91 75.54 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.653 -0.654 . . . . 0.0 109.335 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.38 -41.42 80.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.932 -0.48 . . . . 0.0 110.035 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . 0.429 ' HA ' HD13 ' X' ' 27' ' ' ILE . 13.1 m170 -58.84 -41.42 86.87 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.643 -0.661 . . . . 0.0 109.984 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -65.72 -37.09 85.46 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.622 -0.674 . . . . 0.0 110.218 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -63.67 -30.21 71.35 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.382 -0.824 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' X' ' 24' ' ' HIS . 25.7 mt -79.69 -34.84 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.373 -0.829 . . . . 0.0 110.271 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.842 -1.075 . . . . 0.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.926 0.393 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.62 97.07 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.606 -0.684 . . . . 0.0 110.278 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.85 97.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.303 -0.873 . . . . 0.0 109.93 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -36.51 81.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.25 -39.88 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 8' ' ' THR . . . . . 0.481 ' HA ' HD13 ' X' ' 11' ' ' LEU . 29.8 m -65.16 -37.19 86.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.87 92.2 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.681 -0.637 . . . . 0.0 110.147 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.1 -39.9 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' X' ' 8' ' ' THR . 28.2 mt -64.45 -39.41 93.77 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.713 -0.617 . . . . 0.0 110.225 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -59.58 -44.16 93.43 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.819 -0.551 . . . . 0.0 109.908 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -70.41 -35.78 73.63 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 110.278 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.7 -41.56 86.57 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.457 -0.777 . . . . 0.0 110.435 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -68.23 -42.89 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.513 -0.742 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.46 -44.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.503 -0.748 . . . . 0.0 109.867 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.37 -36.71 83.13 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.54 -0.725 . . . . 0.0 110.345 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.32 -40.16 70.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.515 -0.741 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -41.98 84.59 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.5 -39.23 85.15 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.308 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -39.84 77.55 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.612 -0.68 . . . . 0.0 110.135 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -61.32 -45.55 93.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.517 -0.74 . . . . 0.0 109.541 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.36 -38.2 90.25 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.687 -0.633 . . . . 0.0 109.869 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -58.42 -42.48 87.33 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.653 -0.654 . . . . 0.0 110.012 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -35.56 80.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.576 -0.703 . . . . 0.0 109.907 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -32.48 74.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.421 -0.799 . . . . 0.0 109.96 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mt -79.04 -48.02 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.35 -0.843 . . . . 0.0 109.988 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.288 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.787 0.327 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.98 89.02 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.483 -0.76 . . . . 0.0 110.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.93 86.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.435 -0.791 . . . . 0.0 109.836 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -63.2 -35.34 80.0 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.371 -0.831 . . . . 0.0 109.269 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.477 ' HA ' HD12 ' X' ' 10' ' ' ILE . 87.5 t -64.7 -40.08 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 8' ' ' THR . . . . . 0.433 ' HA ' HD12 ' X' ' 11' ' ' LEU . 24.4 m -67.16 -36.08 81.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.651 -0.656 . . . . 0.0 109.686 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.01 97.09 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.698 -0.626 . . . . 0.0 110.261 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' X' ' 7' ' ' VAL . 36.4 mt -59.11 -39.93 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.5 mt -65.9 -38.43 88.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 110.179 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -60.07 -45.56 92.49 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.684 -0.635 . . . . 0.0 110.318 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -70.24 -34.8 73.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.441 -0.787 . . . . 0.0 110.299 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.69 -45.87 90.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 85.3 m -60.32 -40.1 89.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.84 -42.25 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.499 -0.75 . . . . 0.0 109.704 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -63.08 -39.07 93.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.443 -0.786 . . . . 0.0 109.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.5 88.79 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 110.07 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.33 89.09 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.26 -37.88 86.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.73 -0.606 . . . . 0.0 109.419 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.68 -47.61 81.85 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.671 -0.643 . . . . 0.0 109.942 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -63.02 -41.36 99.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.611 -0.681 . . . . 0.0 110.111 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.06 -45.38 87.15 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.587 -0.696 . . . . 0.0 109.629 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -65.17 -39.51 93.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.695 -0.628 . . . . 0.0 110.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.88 -37.64 77.03 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.457 -0.777 . . . . 0.0 109.927 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.57 -30.76 67.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -80.47 -40.94 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.372 -0.83 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.448 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.957 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.28 91.85 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.621 -0.674 . . . . 0.0 110.22 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.47 97.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.969 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -62.42 -35.84 80.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.429 -0.794 . . . . 0.0 109.565 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.481 ' HA ' HD11 ' X' ' 10' ' ' ILE . 93.9 t -63.0 -40.04 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.5 m -66.2 -37.34 85.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.572 -0.705 . . . . 0.0 109.641 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.751 -0.593 . . . . 0.0 110.355 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' X' ' 7' ' ' VAL . 58.7 mt -59.35 -40.75 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.81 -40.47 95.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.669 -0.644 . . . . 0.0 109.779 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -68.56 -41.58 79.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -61.83 -34.43 75.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.589 -0.695 . . . . 0.0 110.125 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.23 82.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.555 -0.716 . . . . 0.0 109.694 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -60.02 -42.37 94.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.567 -0.708 . . . . 0.0 109.48 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.17 -43.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.663 -0.648 . . . . 0.0 109.672 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.5 m -60.9 -40.72 94.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.537 -0.727 . . . . 0.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.22 94.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.45 -0.782 . . . . 0.0 110.226 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -40.92 91.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.76 -39.94 91.54 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.603 . . . . 0.0 109.689 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -44.34 97.4 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.57 -0.706 . . . . 0.0 109.654 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -42.12 97.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.649 -0.657 . . . . 0.0 110.003 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.79 -44.65 96.55 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.636 -0.665 . . . . 0.0 109.821 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -65.16 -38.64 91.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.594 -0.691 . . . . 0.0 109.88 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.34 -36.15 81.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.634 -0.666 . . . . 0.0 109.962 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -30.33 67.77 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.404 -0.81 . . . . 0.0 109.989 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -83.5 -37.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.421 -0.8 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.361 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.054 0 CA-C-O 120.922 0.391 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.36 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.508 -0.745 . . . . 0.0 110.267 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.82 98.63 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.468 -0.77 . . . . 0.0 110.197 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.76 -35.53 80.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.308 -0.87 . . . . 0.0 109.329 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.487 ' HA ' HD13 ' X' ' 10' ' ' ILE . 90.4 t -64.04 -39.54 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 64.4 m -66.89 -36.56 82.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.535 -0.728 . . . . 0.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.71 -0.619 . . . . 0.0 109.983 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' X' ' 7' ' ' VAL . 67.6 mt -58.27 -41.32 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -38.53 89.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.862 -0.524 . . . . 0.0 110.381 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -57.89 -41.36 82.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.681 -0.637 . . . . 0.0 110.234 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -70.31 -34.9 73.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.283 -0.885 . . . . 0.0 109.607 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.03 -44.05 90.41 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.644 -0.66 . . . . 0.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.5 p -65.54 -40.3 92.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -0.777 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.84 -45.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.429 -0.794 . . . . 0.0 109.676 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 93.0 m -65.11 -44.58 88.28 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.483 -0.761 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -64.19 -39.02 93.1 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -0.81 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.57 -40.93 80.08 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.63 -41.44 92.66 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.602 -0.686 . . . . 0.0 109.537 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.28 -41.55 80.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.444 -0.785 . . . . 0.0 109.647 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.57 85.42 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.697 -0.627 . . . . 0.0 110.115 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.31 -39.27 78.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -64.52 -42.33 95.83 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 110.161 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.25 -40.47 97.5 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.5 -0.75 . . . . 0.0 110.02 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -67.11 -27.12 67.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.552 -0.718 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.57 -40.79 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.412 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 120.983 0.421 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.32 93.91 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.552 -0.717 . . . . 0.0 110.152 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.27 90.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.421 -0.799 . . . . 0.0 110.004 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -36.17 82.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.379 -0.825 . . . . 0.0 109.35 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.66 -39.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 58.9 m -67.18 -36.91 82.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.524 -0.735 . . . . 0.0 109.859 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.7 88.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -60.97 -39.1 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -38.11 89.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.703 -0.623 . . . . 0.0 109.831 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.444 ' O ' HG22 ' X' ' 15' ' ' THR . 1.6 t -63.56 -44.66 93.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.834 -0.541 . . . . 0.0 110.564 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.2 p -72.87 -33.37 66.03 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.133 -0.979 . . . . 0.0 110.394 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.43 -46.01 88.31 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.4 -0.812 . . . . 0.0 110.792 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 15' ' ' THR . . . . . 0.444 HG22 ' O ' ' X' ' 12' ' ' SER . 9.9 t -67.82 -36.25 80.07 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.439 -0.788 . . . . 0.0 110.697 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.95 -45.69 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.263 -0.898 . . . . 0.0 110.144 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 19.2 m -64.52 -40.15 95.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.374 -0.829 . . . . 0.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.29 -42.81 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.347 -0.845 . . . . 0.0 110.194 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.85 -41.6 78.22 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -39.92 89.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.724 -0.61 . . . . 0.0 109.723 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -43.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -60.7 -47.73 84.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.605 -0.684 . . . . 0.0 109.42 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . 0.427 ' O ' HG12 ' X' ' 27' ' ' ILE . 1.1 tt -59.82 -40.33 88.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 122.009 -0.432 . . . . 0.0 110.086 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -43.49 98.77 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.575 -0.703 . . . . 0.0 109.944 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -60.2 -34.9 74.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 109.608 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -67.33 -27.29 67.02 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.513 -0.742 . . . . 0.0 110.067 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . 0.427 HG12 ' O ' ' X' ' 23' ' ' LEU . 41.2 mm -83.83 -42.92 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.431 -0.793 . . . . 0.0 110.171 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 117.699 -1.143 . . . . 0.0 110.823 -179.769 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 120.989 0.424 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.2 96.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.579 -0.7 . . . . 0.0 109.778 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.64 78.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.478 -0.764 . . . . 0.0 109.695 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -65.0 -36.98 86.15 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.451 -0.781 . . . . 0.0 109.103 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' X' ' 10' ' ' ILE . 94.2 t -63.36 -39.11 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -67.78 -37.92 82.69 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.611 -0.681 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.45 98.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.688 -0.632 . . . . 0.0 110.295 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.41 -39.95 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.79 -38.69 92.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.76 -0.588 . . . . 0.0 110.127 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -59.55 -43.78 93.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.791 -0.568 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -73.52 -34.49 65.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 109.978 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -43.8 94.13 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.505 -0.747 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.334 -0.854 . . . . 0.0 109.865 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.13 -42.17 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 0.0 109.372 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 9.7 m -65.23 -39.57 92.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.54 -0.725 . . . . 0.0 109.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -38.48 91.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.408 -0.807 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.25 -41.17 88.16 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -39.41 93.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.678 -0.639 . . . . 0.0 109.538 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -60.04 -46.16 90.44 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.522 -0.736 . . . . 0.0 109.605 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -59.96 -40.79 90.26 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.73 -0.607 . . . . 0.0 110.005 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.76 -43.0 99.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.639 -0.663 . . . . 0.0 109.83 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.67 -39.57 94.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.502 -0.749 . . . . 0.0 109.961 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.99 -36.12 82.43 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.0 110.115 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -65.36 -33.66 76.48 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.509 -0.745 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -79.34 -29.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.44 -0.787 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.56 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.981 0 CA-C-O 120.963 0.411 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.61 95.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.22 99.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.365 -0.834 . . . . 0.0 110.036 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -36.04 78.95 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.491 -0.756 . . . . 0.0 109.629 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' X' ' 10' ' ' ILE . 83.9 t -63.36 -39.22 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 30.8 m -67.83 -36.93 81.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.525 -0.734 . . . . 0.0 109.803 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.5 94.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 0.0 110.12 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' X' ' 7' ' ' VAL . 47.6 mt -57.99 -41.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.66 -40.54 88.67 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.29 0.567 . . . . 0.0 109.951 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 20.7 m -60.56 -43.44 97.26 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.785 -0.572 . . . . 0.0 109.839 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 71.6 m -61.74 -39.28 91.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.575 -0.703 . . . . 0.0 109.317 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -42.87 99.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.688 . . . . 0.0 109.438 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 90.9 m -53.66 -42.4 67.85 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.655 -0.653 . . . . 0.0 109.791 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . 0.449 ' HA ' HD13 ' X' ' 19' ' ' LEU . 97.4 t -65.47 -44.36 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.567 -0.708 . . . . 0.0 109.468 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -66.18 -39.34 89.65 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.528 -0.733 . . . . 0.0 109.684 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -41.08 81.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.645 -0.659 . . . . 0.0 110.024 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' X' ' 16' ' ' VAL . 8.4 mt -58.92 -47.39 85.19 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -38.49 88.49 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -57.99 -40.44 80.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.662 -0.649 . . . . 0.0 110.099 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -65.9 -45.49 81.78 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.553 -0.717 . . . . 0.0 109.619 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -57.99 -42.44 85.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.72 -0.612 . . . . 0.0 109.837 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -65.27 -39.42 92.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.042 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.43 -36.42 78.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 109.946 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -70.01 -33.21 71.72 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.642 -0.662 . . . . 0.0 109.929 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' X' ' 28' ' ' SER . 72.4 mt -76.06 -31.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.387 -0.821 . . . . 0.0 110.614 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 28' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' X' ' 27' ' ' ILE . 58.3 m . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.605 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.46 98.63 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.442 -0.786 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.36 90.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.497 -0.752 . . . . 0.0 110.031 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -62.96 -36.56 83.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.393 -0.817 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.99 -39.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -65.35 -36.89 85.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.589 -0.694 . . . . 0.0 109.567 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.1 95.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.73 -0.606 . . . . 0.0 110.07 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.34 -39.72 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' X' ' 14' ' ' LEU . 13.7 tp -64.22 -40.11 95.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.656 -0.653 . . . . 0.0 109.325 178.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.1 m -68.57 -40.81 80.43 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -58.41 -36.02 72.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.744 -0.597 . . . . 0.0 109.974 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' X' ' 11' ' ' LEU . 2.4 mt -59.38 -43.99 92.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.495 -0.753 . . . . 0.0 109.698 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -60.81 -41.02 94.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.678 -0.639 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.86 -43.38 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 0.0 109.703 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.53 -44.53 95.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.537 -0.727 . . . . 0.0 109.738 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.63 -40.37 83.18 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.891 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -41.66 72.6 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -39.59 91.81 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.728 -0.608 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -48.28 81.96 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.469 -0.77 . . . . 0.0 110.032 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -39.21 93.79 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 110.158 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -41.85 93.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.429 -0.794 . . . . 0.0 109.745 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.48 -38.94 91.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.608 -0.683 . . . . 0.0 109.827 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.7 -38.14 89.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.645 -0.659 . . . . 0.0 109.981 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -33.71 71.79 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.471 -0.768 . . . . 0.0 110.796 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -83.78 -50.23 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.33 -0.856 . . . . 0.0 110.175 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.881 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.001 0 CA-C-O 120.96 0.41 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.69 88.52 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.691 -0.63 . . . . 0.0 109.974 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.98 87.99 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.491 -0.755 . . . . 0.0 109.737 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.82 -37.61 87.45 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' X' ' 10' ' ' ILE . 98.6 t -62.07 -40.05 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -67.33 -36.36 81.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.12 94.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.621 -0.675 . . . . 0.0 110.225 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' X' ' 7' ' ' VAL . 52.5 mt -59.26 -41.18 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -39.44 91.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.773 -0.58 . . . . 0.0 109.684 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -59.27 -37.38 77.49 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.864 -0.523 . . . . 0.0 109.846 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -61.04 -44.7 97.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.655 -0.653 . . . . 0.0 109.606 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -42.26 99.51 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.667 -0.646 . . . . 0.0 109.75 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -56.45 -41.72 76.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.648 -0.658 . . . . 0.0 109.724 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -62.84 -42.26 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.51 -0.744 . . . . 0.0 109.764 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -61.27 -38.98 88.69 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.425 -0.797 . . . . 0.0 109.573 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -39.92 95.75 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.118 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.18 -41.79 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.83 -39.56 90.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.713 -0.617 . . . . 0.0 109.994 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -44.7 94.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.407 -0.808 . . . . 0.0 110.063 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -42.42 79.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.582 -0.699 . . . . 0.0 110.123 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.08 -35.17 66.69 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 110.655 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -56.16 -39.91 73.07 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 0.0 110.017 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 -37.72 78.23 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.666 -0.646 . . . . 0.0 110.196 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -32.29 73.94 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.495 -0.753 . . . . 0.0 110.317 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -76.85 -34.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.255 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.401 179.959 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 120.86 0.362 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.98 99.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 110.29 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.76 88.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -62.81 -35.15 78.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.337 -0.852 . . . . 0.0 109.31 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.28 -40.11 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 17.1 m -67.34 -36.81 82.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.703 -0.623 . . . . 0.0 109.887 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.71 89.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.728 -0.608 . . . . 0.0 110.118 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.95 -42.38 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.37 -41.46 85.02 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.478 0.656 . . . . 0.0 109.571 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 29.1 m -63.34 -41.43 98.86 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.877 -0.515 . . . . 0.0 110.039 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -67.69 -33.53 75.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.4 -0.813 . . . . 0.0 109.989 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -48.91 73.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.579 -0.701 . . . . 0.0 110.101 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -58.78 -39.32 80.68 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.504 -0.748 . . . . 0.0 109.884 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.41 -42.26 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 178.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -64.91 -40.03 94.44 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 109.673 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.44 -44.1 96.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.581 -0.7 . . . . 0.0 110.324 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -41.93 82.48 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.028 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -39.22 90.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.667 -0.646 . . . . 0.0 109.836 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -42.89 99.46 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.436 -0.79 . . . . 0.0 110.031 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -63.09 -41.92 99.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.843 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.4 -38.26 88.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.527 -0.733 . . . . 0.0 109.998 179.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . 0.406 ' O ' HG23 ' X' ' 27' ' ' ILE . 3.8 t-80 -65.65 -39.71 91.68 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.573 -0.705 . . . . 0.0 110.37 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -35.18 75.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -28.23 64.57 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.533 -0.729 . . . . 0.0 110.847 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . 0.406 HG23 ' O ' ' X' ' 24' ' ' HIS . 0.1 OUTLIER -73.48 -30.1 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.319 -0.863 . . . . 0.0 110.577 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.989 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 120.853 0.358 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.8 90.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.505 -0.747 . . . . 0.0 110.343 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.63 99.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -35.75 78.91 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.335 -0.853 . . . . 0.0 109.398 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.54 -39.15 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -65.84 -37.54 86.48 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.585 -0.697 . . . . 0.0 109.798 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.53 88.15 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.42 ' HA ' HD12 ' X' ' 10' ' ' ILE . 18.5 mm -59.63 -39.17 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -64.38 -38.72 92.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.576 -0.703 . . . . 0.0 109.774 178.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -60.14 -45.97 91.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.726 -0.609 . . . . 0.0 110.041 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -74.7 -32.89 62.31 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.222 -0.924 . . . . 0.0 110.017 179.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.99 -41.94 88.83 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.527 -0.733 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.6 p -60.32 -41.46 93.56 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.371 -0.831 . . . . 0.0 109.826 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.02 -42.2 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.611 -0.681 . . . . 0.0 109.384 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -63.08 -40.02 96.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.593 -0.692 . . . . 0.0 109.718 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -39.63 90.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.695 . . . . 0.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.51 -44.02 89.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -40.27 87.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.8 -0.563 . . . . 0.0 109.56 178.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.45 94.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.61 -0.681 . . . . 0.0 110.01 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.6 98.47 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.551 -0.718 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -40.69 89.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.672 -0.643 . . . . 0.0 109.909 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -64.22 -41.51 97.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.602 -0.686 . . . . 0.0 109.96 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -61.55 -34.82 76.22 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 0.0 110.021 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -32.53 72.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.519 -0.738 . . . . 0.0 109.873 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mt -83.7 -46.01 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.0 110.052 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.314 -179.914 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.978 0.418 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.638 -0.664 . . . . 0.0 110.094 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.18 96.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.828 . . . . 0.0 109.941 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.68 -36.2 80.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.423 -0.798 . . . . 0.0 109.391 178.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.545 ' HA ' HD11 ' X' ' 10' ' ' ILE . 99.0 t -63.7 -39.9 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -66.46 -36.98 84.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.509 -0.744 . . . . 0.0 109.727 178.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.34 96.65 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.624 -0.672 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.03 -41.23 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.73 -38.17 88.43 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.76 -0.587 . . . . 0.0 109.973 178.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -61.73 -33.11 73.46 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.849 -0.532 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -37.61 78.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.291 -0.88 . . . . 0.0 109.374 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -47.14 74.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.637 -0.664 . . . . 0.0 110.476 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -58.01 -39.11 77.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.405 -0.809 . . . . 0.0 110.019 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.76 -42.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.5 m -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.457 -0.777 . . . . 0.0 109.489 179.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -39.54 93.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 109.775 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.491 ' HA ' ' HD3' ' X' ' 22' ' ' ARG . 7.9 mt -57.85 -37.95 74.79 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -40.34 95.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.568 -0.708 . . . . 0.0 109.094 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -63.85 -37.46 87.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.573 -0.705 . . . . 0.0 109.628 178.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' HA ' ' X' ' 19' ' ' LEU . 22.3 mtp180 -60.58 -48.49 81.53 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.455 -0.778 . . . . 0.0 109.595 179.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.17 90.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.635 -0.666 . . . . 0.0 109.673 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -63.72 -45.06 91.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 0.0 109.862 179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.13 -39.99 88.19 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.695 -0.628 . . . . 0.0 109.984 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -58.3 -36.75 73.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.507 -0.746 . . . . 0.0 109.917 179.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.28 -45.61 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.0 109.681 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.229 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.857 0.36 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.39 98.24 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.27 -0.894 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.85 91.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.446 -0.784 . . . . 0.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -62.07 -36.24 81.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.349 -0.844 . . . . 0.0 109.626 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' X' ' 10' ' ' ILE . 74.1 t -63.85 -40.13 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 178.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -70.68 -36.07 73.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 109.906 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.87 92.0 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.709 -0.619 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' X' ' 7' ' ' VAL . 51.8 mt -57.36 -41.69 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.287 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -38.15 86.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.592 -0.692 . . . . 0.0 110.023 179.014 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 70.8 m -64.71 -46.6 81.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.714 -0.616 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.2 p -64.86 -34.35 78.18 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.58 -46.75 86.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.347 -0.846 . . . . 0.0 110.095 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -37.11 80.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.526 -0.734 . . . . 0.0 110.206 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.76 -46.26 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -63.25 -41.14 99.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.277 -0.889 . . . . 0.0 110.301 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.84 -39.38 94.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.293 -0.879 . . . . 0.0 110.149 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.99 -39.2 94.03 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.01 -39.53 90.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.791 -0.568 . . . . 0.0 109.968 178.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.39 -44.67 95.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.368 -0.833 . . . . 0.0 109.784 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -42.76 88.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.622 -0.674 . . . . 0.0 110.023 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tp -68.81 -35.53 77.11 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.788 . . . . 0.0 110.46 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -40.0 74.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.29 -0.881 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.53 -43.26 99.19 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.356 -0.84 . . . . 0.0 109.202 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -70.59 -31.73 68.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.624 -0.673 . . . . 0.0 109.863 178.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 mm -74.67 -52.8 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.154 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.925 -179.816 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.05 77.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.502 -0.749 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.6 98.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.398 -0.814 . . . . 0.0 110.106 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.89 -35.59 78.8 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.408 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.05 -39.78 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -64.84 -37.91 89.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.575 -0.703 . . . . 0.0 109.723 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.44 89.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.735 -0.603 . . . . 0.0 110.24 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.69 -40.98 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -39.8 94.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 178.67 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -59.71 -37.69 79.56 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.777 -0.577 . . . . 0.0 109.64 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.09 -41.78 98.54 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.611 -0.681 . . . . 0.0 109.275 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.88 92.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.727 -0.608 . . . . 0.0 109.755 179.151 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 31.4 m -59.79 -42.3 93.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.52 -0.737 . . . . 0.0 109.545 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.45 -42.21 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -63.98 -38.79 92.36 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.578 -0.701 . . . . 0.0 110.016 179.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -40.98 96.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.41 77.7 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.715 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -40.11 91.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.643 -0.66 . . . . 0.0 109.574 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -60.35 -44.36 95.63 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.415 -0.803 . . . . 0.0 109.642 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -39.85 91.37 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 109.777 179.026 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.24 -43.23 92.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.568 -0.707 . . . . 0.0 109.809 179.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -65.82 -39.13 90.56 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.91 -35.76 79.33 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.443 -0.786 . . . . 0.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -69.85 -34.45 73.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.312 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mt -78.95 -49.26 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.531 -0.73 . . . . 0.0 110.081 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.537 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.061 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.49 81.24 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.475 -0.765 . . . . 0.0 110.269 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.6 87.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.818 . . . . 0.0 109.943 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -36.53 80.5 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.51 -0.744 . . . . 0.0 109.444 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' X' ' 10' ' ' ILE . 96.1 t -63.88 -39.94 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.241 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -67.05 -36.3 81.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.529 -0.732 . . . . 0.0 109.683 178.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.95 92.86 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.703 -0.623 . . . . 0.0 110.142 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' X' ' 7' ' ' VAL . 61.1 mt -60.08 -41.09 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -40.76 87.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.824 -0.548 . . . . 0.0 109.855 178.754 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.5 m -58.93 -42.7 90.33 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.815 -0.553 . . . . 0.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -62.69 -40.77 98.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.686 -0.634 . . . . 0.0 109.694 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.28 -42.79 99.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.659 -0.65 . . . . 0.0 109.695 179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 60.1 m -55.94 -42.12 75.69 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.643 -0.661 . . . . 0.0 109.746 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' X' ' 19' ' ' LEU . 91.8 t -64.48 -43.85 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.651 -0.655 . . . . 0.0 109.567 179.157 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -59.97 -39.49 85.83 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.533 -0.73 . . . . 0.0 109.947 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.76 -40.98 97.03 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.127 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' X' ' 16' ' ' VAL . 8.3 mt -56.37 -42.12 77.32 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -40.42 91.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.686 -0.634 . . . . 0.0 109.733 178.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -61.89 -44.35 96.98 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.418 -0.801 . . . . 0.0 110.085 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -39.59 86.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.625 -0.672 . . . . 0.0 109.889 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.03 -42.76 95.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.49 -0.756 . . . . 0.0 109.482 178.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -65.53 -40.41 92.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 109.399 178.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.72 -33.33 73.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.677 -0.639 . . . . 0.0 109.974 179.079 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -69.55 -32.75 71.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.496 -0.752 . . . . 0.0 110.108 179.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.0 mt -81.32 -45.4 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.44 -0.787 . . . . 0.0 110.596 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.695 -179.632 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 120.98 0.419 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.74 92.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.91 96.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.321 -0.862 . . . . 0.0 109.847 179.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -60.76 -36.34 78.68 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.459 -0.776 . . . . 0.0 109.489 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 7' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.9 t -63.3 -39.57 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.341 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -68.45 -36.45 79.03 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.584 -0.698 . . . . 0.0 109.743 178.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.13 88.99 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.77 -0.581 . . . . 0.0 110.25 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' X' ' 7' ' ' VAL . 50.9 mt -60.66 -40.82 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.306 0.574 . . . . 0.0 109.914 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -60.52 -45.7 92.87 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.774 -0.579 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 52.7 p -64.23 -35.12 79.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.447 -0.783 . . . . 0.0 109.837 179.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.518 -0.739 . . . . 0.0 109.686 179.209 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.7 m -57.6 -42.14 82.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.652 -0.655 . . . . 0.0 109.556 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.79 -43.15 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.581 -0.699 . . . . 0.0 109.613 179.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.85 -39.34 88.76 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -39.63 93.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.463 -0.773 . . . . 0.0 109.879 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.62 -45.11 89.91 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.17 -39.7 89.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.737 -0.602 . . . . 0.0 109.664 178.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -61.11 -38.26 85.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.612 -0.68 . . . . 0.0 109.863 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.19 -43.06 99.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.52 -0.738 . . . . 0.0 109.405 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.42 -41.44 93.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.591 . . . . 0.0 109.425 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -64.23 -41.53 96.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.626 -0.671 . . . . 0.0 110.01 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -37.5 77.84 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.816 179.293 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.32 -34.49 77.8 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.545 -0.722 . . . . 0.0 109.808 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 19.2 mt -83.08 -42.47 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.552 -0.717 . . . . 0.0 109.559 179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.76 -1.114 . . . . 0.0 110.135 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 121.131 0.491 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.37 -31.5 7.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.31 -50.67 73.1 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.276 -0.89 . . . . 0.0 110.282 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.25 96.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.805 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.74 90.53 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.538 -0.726 . . . . 0.0 109.718 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -62.08 -36.43 81.65 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.526 -0.734 . . . . 0.0 109.537 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.421 ' HA ' HD13 ' X' ' 10' ' ' ILE . 83.0 t -63.72 -39.81 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -68.25 -36.59 79.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.595 -0.691 . . . . 0.0 109.711 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.54 94.23 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.783 -0.573 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' X' ' 7' ' ' VAL . 53.0 mt -56.97 -42.04 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.64 -39.67 88.38 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.764 -0.585 . . . . 0.0 110.192 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -59.61 -44.39 93.43 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.67 -0.644 . . . . 0.0 110.257 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 45.5 m -62.83 -39.07 93.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.611 -0.681 . . . . 0.0 109.903 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -42.26 94.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.673 -0.642 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -57.58 -42.51 83.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.91 -42.89 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.668 -0.645 . . . . 0.0 109.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.4 ' HA ' HD11 ' X' ' 20' ' ' LEU . 17.3 m -60.15 -39.47 86.45 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.495 -0.753 . . . . 0.0 110.121 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.15 -46.02 85.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.525 -0.734 . . . . 0.0 110.276 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -38.71 72.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' X' ' 17' ' ' THR . 19.2 mt -66.45 -40.22 89.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.7 -0.625 . . . . 0.0 109.811 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -62.02 -41.2 97.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.522 -0.737 . . . . 0.0 109.996 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.19 95.94 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.61 -0.681 . . . . 0.0 109.767 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.83 -45.74 92.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -65.04 -39.37 93.23 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.673 . . . . 0.0 109.888 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.75 -36.6 74.6 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.528 -0.733 . . . . 0.0 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -72.47 -37.56 68.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.506 -0.746 . . . . 0.0 110.054 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.48 -43.91 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.513 -0.742 . . . . 0.0 110.374 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.461 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 53.84 80.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.36 0.6 . . . . 0.0 110.8 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.61 84.7 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.455 -0.778 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.96 97.52 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 0.0 110.017 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.82 85.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 109.802 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -36.78 82.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 109.346 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -63.3 -39.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.1 -36.49 82.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.646 -0.659 . . . . 0.0 109.919 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.78 94.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.68 -0.638 . . . . 0.0 110.169 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mm -58.57 -41.4 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -37.76 86.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.794 -0.567 . . . . 0.0 110.231 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -45.67 90.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.681 -0.637 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -64.39 -37.64 88.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.467 -0.771 . . . . 0.0 109.455 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.07 -36.66 82.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.67 -0.644 . . . . 0.0 109.851 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -59.07 -43.62 91.78 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.593 -0.692 . . . . 0.0 109.519 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.85 -47.94 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.625 -0.672 . . . . 0.0 109.225 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.487 ' HA ' HD12 ' X' ' 20' ' ' LEU . 6.4 m -62.35 -39.06 91.9 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.666 -0.647 . . . . 0.0 109.739 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -63.67 -44.32 94.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.412 -0.805 . . . . 0.0 109.966 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.68 -37.58 65.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' X' ' 17' ' ' THR . 3.2 mt -66.8 -43.28 84.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.496 -0.752 . . . . 0.0 109.765 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -39.3 80.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.378 -0.826 . . . . 0.0 109.985 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.68 95.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.543 -0.723 . . . . 0.0 109.815 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.84 -40.54 83.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.456 -0.777 . . . . 0.0 109.987 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -62.88 -39.98 96.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.553 -0.717 . . . . 0.0 110.3 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -37.35 84.84 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.762 . . . . 0.0 109.981 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -70.25 -29.92 66.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.448 -0.782 . . . . 0.0 110.183 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -83.83 -52.02 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.366 -0.834 . . . . 0.0 110.027 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.823 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.747 0.308 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.22 -42.8 87.06 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.54 -0.725 . . . . 0.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.54 -42.12 91.61 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.39 -0.819 . . . . 0.0 110.135 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.0 92.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.456 -0.777 . . . . 0.0 110.099 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.7 98.45 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.49 -0.756 . . . . 0.0 110.388 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . 0.521 ' HG3' ' N ' ' X' ' 7' ' ' VAL . 0.0 OUTLIER -63.28 -33.22 75.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 179.25 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.521 ' N ' ' HG3' ' X' ' 6' ' ' ARG . 99.6 t -64.45 -39.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -65.2 -37.34 87.01 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.596 -0.69 . . . . 0.0 109.557 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.63 85.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.731 -0.606 . . . . 0.0 110.24 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 mm -60.09 -40.2 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.42 -40.65 93.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.752 -0.592 . . . . 0.0 109.69 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m -69.17 -43.51 74.11 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.789 -0.57 . . . . 0.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.1 m -61.33 -34.9 76.03 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.63 -0.668 . . . . 0.0 110.222 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -35.92 73.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.627 -0.671 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -60.54 -45.23 94.62 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.459 -0.776 . . . . 0.0 109.97 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.2 -42.16 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.533 -0.729 . . . . 0.0 109.679 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -60.23 -39.9 88.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -0.816 . . . . 0.0 110.108 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -41.89 99.43 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.467 -0.771 . . . . 0.0 109.992 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.72 -42.42 93.03 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.54 -39.39 91.7 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -59.78 -37.64 79.63 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.544 -0.723 . . . . 0.0 109.706 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -45.8 91.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.595 -0.691 . . . . 0.0 109.411 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.61 -46.05 87.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.738 -0.601 . . . . 0.0 109.695 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -65.3 -40.51 93.89 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.597 -0.689 . . . . 0.0 109.7 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.77 -35.06 73.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.621 -0.674 . . . . 0.0 109.792 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -69.68 -33.49 72.63 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.516 -0.74 . . . . 0.0 109.585 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mm -75.7 -39.32 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.544 -0.722 . . . . 0.0 109.961 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.339 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 121.135 0.493 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 4.3 m-20 -134.89 77.57 1.69 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.462 -0.774 . . . . 0.0 110.295 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.11 69.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.269 -0.894 . . . . 0.0 110.574 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.4 96.35 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.506 -0.747 . . . . 0.0 110.415 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -64.78 -38.3 90.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.423 -0.798 . . . . 0.0 110.053 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . 0.51 ' HA ' ' NE ' ' X' ' 6' ' ' ARG . 10.9 mmp_? -63.66 -35.7 81.42 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.218 -0.926 . . . . 0.0 109.378 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' X' ' 10' ' ' ILE . 91.8 t -63.09 -38.92 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -68.48 -36.47 78.99 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 109.559 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.69 88.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.792 -0.568 . . . . 0.0 110.336 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' X' ' 7' ' ' VAL . 41.7 mt -61.24 -41.34 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -39.95 90.42 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.17 0.509 . . . . 0.0 110.076 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.8 t -61.08 -44.28 97.6 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.729 -0.607 . . . . 0.0 110.092 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -62.92 -39.66 95.24 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.519 -0.738 . . . . 0.0 109.839 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -41.71 97.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.609 -0.682 . . . . 0.0 110.048 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -61.6 -41.44 97.44 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.575 -0.703 . . . . 0.0 109.987 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.03 -43.93 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.498 -0.751 . . . . 0.0 109.885 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -62.12 -40.57 96.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.506 -0.746 . . . . 0.0 110.163 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.59 -47.27 82.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.436 -0.79 . . . . 0.0 110.081 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -54.12 -39.78 66.73 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -40.7 94.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.825 -0.547 . . . . 0.0 109.672 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.65 -42.7 99.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.538 -0.726 . . . . 0.0 109.837 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -44.36 97.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.717 -0.614 . . . . 0.0 110.025 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.79 -42.27 88.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.84 -0.537 . . . . 0.0 110.091 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -63.33 -38.92 93.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.511 -0.743 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -34.52 78.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.51 -0.744 . . . . 0.0 110.067 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -69.29 -33.16 72.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.497 -0.752 . . . . 0.0 110.063 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.39 -40.26 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 0.0 109.885 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.132 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.653 0.263 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 t0 56.74 53.54 8.21 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.43 0.633 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.73 70.33 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.439 -0.788 . . . . 0.0 111.247 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.16 78.92 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.354 -0.841 . . . . 0.0 110.699 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.57 90.87 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.318 -0.864 . . . . 0.0 109.901 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.23 82.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.368 -0.833 . . . . 0.0 109.35 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.403 ' HA ' HD13 ' X' ' 10' ' ' ILE . 96.0 t -62.8 -39.37 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -67.21 -37.27 83.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.517 -0.739 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.97 92.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.685 -0.634 . . . . 0.0 110.228 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' X' ' 7' ' ' VAL . 48.1 mt -59.48 -40.93 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.97 -38.85 86.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.66 -0.65 . . . . 0.0 110.241 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.1 t -58.65 -45.58 89.01 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.835 -0.54 . . . . 0.0 110.703 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -68.89 -36.52 78.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.476 -0.765 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.27 -46.4 88.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.434 -0.791 . . . . 0.0 110.151 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 28.2 m -63.0 -40.4 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.459 -0.776 . . . . 0.0 109.945 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.06 -42.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.398 -0.813 . . . . 0.0 109.329 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -69.05 -42.38 76.37 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.486 -0.759 . . . . 0.0 109.718 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -41.28 99.22 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.552 -0.717 . . . . 0.0 110.263 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.76 -40.14 87.18 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.37 -39.69 85.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 110.188 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -62.11 -44.72 96.04 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.454 -0.779 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -60.89 -46.99 88.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.644 -0.66 . . . . 0.0 109.883 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.4 -38.85 88.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.56 -41.42 85.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.551 -0.718 . . . . 0.0 110.178 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.95 -38.19 79.28 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 0.0 109.894 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -62.05 -32.03 72.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.48 -0.763 . . . . 0.0 110.11 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -78.86 -31.5 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.433 -0.792 . . . . 0.0 110.113 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.441 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.13 0.491 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -107.02 -42.42 4.9 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.476 -0.765 . . . . 0.0 110.783 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' X' ' 6' ' ' ARG . . . -64.57 -39.04 93.03 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.283 -0.886 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.97 73.79 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.649 -0.657 . . . . 0.0 110.429 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.77 80.09 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.391 -0.818 . . . . 0.0 110.056 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' X' ' 3' ' ' ALA . 7.2 mtt180 -62.1 -37.85 86.64 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.339 -0.851 . . . . 0.0 109.305 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.11 -40.08 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.651 -0.656 . . . . 0.0 109.932 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.79 93.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.73 -0.606 . . . . 0.0 110.263 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.86 -40.01 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.34 -39.69 92.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.699 -0.626 . . . . 0.0 109.495 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -33.2 69.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.879 -0.513 . . . . 0.0 109.87 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -62.88 -39.93 95.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.11 -44.23 80.48 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.737 -0.602 . . . . 0.0 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -66.85 -40.13 87.8 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.412 -0.805 . . . . 0.0 109.974 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.74 -41.7 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.431 -0.793 . . . . 0.0 109.398 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 56.1 m -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.427 -0.796 . . . . 0.0 109.499 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.19 93.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 109.733 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.22 -39.67 79.68 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.94 -40.77 95.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.638 -0.664 . . . . 0.0 109.7 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.93 -43.27 91.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.53 -0.731 . . . . 0.0 109.854 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.65 -40.47 92.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.57 -0.706 . . . . 0.0 109.773 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.57 -39.38 83.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.743 . . . . 0.0 109.807 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . 0.531 ' HA ' HD12 ' X' ' 27' ' ' ILE . 0.3 OUTLIER -64.95 -39.9 94.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.674 -0.641 . . . . 0.0 109.538 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.37 79.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.659 . . . . 0.0 109.776 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -26.8 68.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.461 -0.775 . . . . 0.0 110.208 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' X' ' 24' ' ' HIS . 26.0 mt -82.21 -33.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.311 -0.868 . . . . 0.0 110.02 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.403 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.207 0.527 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -152.21 -176.4 5.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.476 -0.765 . . . . 0.0 110.324 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.86 90.4 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.557 -0.714 . . . . 0.0 111.009 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.38 90.46 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.481 -0.762 . . . . 0.0 110.399 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.7 92.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 109.641 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.76 -35.99 81.61 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.423 -0.798 . . . . 0.0 109.165 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.8 t -63.91 -39.66 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -66.84 -36.89 83.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.539 -0.725 . . . . 0.0 109.732 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.82 95.61 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.796 -0.565 . . . . 0.0 110.111 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.4 mt -59.47 -40.3 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.52 -39.61 94.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.687 -0.633 . . . . 0.0 109.978 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -61.56 -42.5 98.93 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -67.43 -35.61 79.58 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.501 -0.749 . . . . 0.0 109.913 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -41.27 93.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.553 -0.717 . . . . 0.0 110.56 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -38.56 91.63 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.366 -0.834 . . . . 0.0 109.98 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.55 -42.14 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.331 -0.856 . . . . 0.0 109.482 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -64.48 -41.52 96.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.488 -0.757 . . . . 0.0 109.911 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.44 -41.06 96.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.359 -0.838 . . . . 0.0 110.497 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.44 -40.72 83.36 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . 0.493 ' HA ' HD21 ' X' ' 23' ' ' LEU . 6.8 tp -66.16 -39.96 90.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.713 -0.617 . . . . 0.0 109.855 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -65.53 -38.04 88.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.345 -0.847 . . . . 0.0 109.586 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -62.76 -46.32 88.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.657 -0.652 . . . . 0.0 110.23 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . 0.55 ' HG ' ' N ' ' X' ' 24' ' ' HIS . 0.3 OUTLIER -61.25 -34.78 75.7 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.633 -0.667 . . . . 0.0 109.937 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . 0.55 ' N ' ' HG ' ' X' ' 23' ' ' LEU . 4.8 t-80 -66.35 -39.69 89.33 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.259 -0.901 . . . . 0.0 109.556 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -33.77 76.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.676 . . . . 0.0 109.97 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -62.16 -38.74 90.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.469 -0.769 . . . . 0.0 109.733 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.65 -45.89 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.535 -0.728 . . . . 0.0 109.993 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.501 2.107 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.79 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.973 0.416 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.85 82.28 0.11 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.346 0.593 . . . . 0.0 110.849 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.63 84.63 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.51 -0.744 . . . . 0.0 110.444 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.75 99.67 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.549 -0.719 . . . . 0.0 109.977 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.15 86.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.524 -0.735 . . . . 0.0 109.73 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.84 -36.61 81.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.404 -0.81 . . . . 0.0 109.294 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.498 ' HA ' HD11 ' X' ' 10' ' ' ILE . 88.2 t -62.59 -39.63 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -67.08 -36.45 82.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 109.682 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.35 95.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.686 -0.633 . . . . 0.0 109.94 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' X' ' 7' ' ' VAL . 64.2 mt -57.26 -39.58 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' X' ' 14' ' ' LEU . 26.6 mt -63.06 -39.98 96.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.718 -0.614 . . . . 0.0 109.715 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -35.39 79.6 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.652 179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -67.66 -33.85 75.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' X' ' 11' ' ' LEU . 1.6 mt -65.04 -44.85 87.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.58 -0.7 . . . . 0.0 110.17 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.8 p -67.63 -39.54 84.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.539 -0.726 . . . . 0.0 109.944 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.23 -47.68 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.409 -0.807 . . . . 0.0 109.385 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -64.92 -38.16 90.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -40.8 82.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.7 . . . . 0.0 109.776 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.93 82.69 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -38.37 86.35 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.6 -36.13 71.33 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.752 -0.593 . . . . 0.0 109.862 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.96 90.19 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -40.86 97.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.644 -0.66 . . . . 0.0 109.417 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -65.17 -40.12 93.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.443 -0.786 . . . . 0.0 110.048 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.46 -36.7 78.88 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.453 -0.779 . . . . 0.0 109.696 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.63 -39.75 73.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.66 -0.65 . . . . 0.0 110.072 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mt -71.11 -43.46 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.655 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.679 0.276 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . 0.439 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 3.9 m-20 56.49 64.83 1.57 Allowed 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.315 0.579 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.62 64.43 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.289 -0.882 . . . . 0.0 109.927 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.32 96.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.581 -0.699 . . . . 0.0 110.038 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -62.24 -37.78 86.71 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.493 -0.755 . . . . 0.0 109.711 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.8 86.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.583 -0.698 . . . . 0.0 109.402 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.72 -39.74 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.22 96.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.72 -0.613 . . . . 0.0 110.306 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mm -59.46 -41.38 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.4 -39.11 88.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.752 -0.593 . . . . 0.0 110.075 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -59.86 -41.35 91.28 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.813 -0.554 . . . . 0.0 110.28 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -40.81 97.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.487 -0.758 . . . . 0.0 109.935 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -44.49 93.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.517 -0.74 . . . . 0.0 109.527 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 25.1 m -58.26 -40.76 82.65 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.762 -0.586 . . . . 0.0 110.118 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.32 -43.89 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.517 -0.739 . . . . 0.0 109.935 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -40.92 99.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.455 -0.778 . . . . 0.0 110.088 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -43.88 93.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.548 -0.72 . . . . 0.0 110.2 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -38.85 74.16 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -38.87 90.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.595 -0.691 . . . . 0.0 109.65 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -44.6 97.06 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.491 -0.756 . . . . 0.0 109.652 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.75 82.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.635 -0.666 . . . . 0.0 109.882 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . 0.443 ' O ' HG12 ' X' ' 27' ' ' ILE . 14.1 tp -64.59 -46.55 82.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.6 -0.688 . . . . 0.0 110.193 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.66 -39.32 90.94 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.72 84.17 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.537 -0.727 . . . . 0.0 109.872 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -26.12 65.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.405 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . 0.443 HG12 ' O ' ' X' ' 23' ' ' LEU . 34.9 mm -84.82 -52.15 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.289 -0.882 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.761 -179.64 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.051 0.453 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -149.68 50.21 0.94 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.51 -0.744 . . . . 0.0 110.417 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.41 -48.0 24.83 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.203 -0.936 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.2 78.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.551 -0.718 . . . . 0.0 110.852 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -36.23 83.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.364 -0.835 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.82 -38.76 86.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.414 -0.804 . . . . 0.0 109.478 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.88 -39.69 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -67.27 -35.49 79.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.458 -0.776 . . . . 0.0 109.746 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.75 94.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.617 -0.677 . . . . 0.0 110.147 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 mm -61.97 -41.1 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -67.06 -39.56 86.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.779 -0.576 . . . . 0.0 109.784 178.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -59.87 -40.27 88.06 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.811 -0.555 . . . . 0.0 110.222 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -61.3 -41.58 97.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -42.49 98.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -60.98 -41.39 96.35 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.484 -0.76 . . . . 0.0 109.994 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.29 -44.03 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.588 -0.695 . . . . 0.0 109.834 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.422 ' HA ' HD13 ' X' ' 20' ' ' LEU . 42.9 m -59.23 -43.89 92.35 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.35 -0.844 . . . . 0.0 109.644 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -65.96 -42.75 89.55 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.569 -0.707 . . . . 0.0 109.988 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -38.89 69.14 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' X' ' 17' ' ' THR . 13.9 mt -65.73 -41.05 92.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.681 -0.637 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -46.29 70.79 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -0.76 . . . . 0.0 109.761 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -44.83 91.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.85 -39.14 88.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.459 -0.776 . . . . 0.0 110.128 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.58 -41.82 96.03 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.427 -0.796 . . . . 0.0 109.82 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.02 -35.23 77.95 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.449 -0.782 . . . . 0.0 109.867 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.95 -35.19 74.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.547 -0.72 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.27 -28.73 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 0.0 110.722 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.496 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.019 0.438 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -99.42 -57.87 2.06 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.508 -0.745 . . . . 0.0 110.431 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.75 -30.84 71.05 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.499 -0.751 . . . . 0.0 111.07 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.56 81.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.345 -0.847 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.27 91.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.301 -0.874 . . . . 0.0 110.143 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.01 -35.82 79.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.34 -0.85 . . . . 0.0 109.414 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' X' ' 10' ' ' ILE . 80.3 t -63.68 -39.38 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -66.8 -36.45 82.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.634 -0.666 . . . . 0.0 109.937 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.34 95.93 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.553 -0.717 . . . . 0.0 109.872 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.4 mt -61.51 -40.14 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -39.17 92.92 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.172 0.51 . . . . 0.0 110.242 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -58.49 -45.47 88.63 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.742 -0.599 . . . . 0.0 109.772 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -63.76 -35.55 80.95 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.562 -0.711 . . . . 0.0 109.195 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.9 81.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -55.9 -46.39 78.37 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.553 -0.717 . . . . 0.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.29 -45.52 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.49 -0.756 . . . . 0.0 109.422 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -65.63 -38.48 89.52 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.545 -0.722 . . . . 0.0 109.601 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -40.69 81.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.692 -0.63 . . . . 0.0 109.878 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.14 -41.05 78.37 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -40.3 94.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.857 -0.527 . . . . 0.0 109.762 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.86 -39.92 82.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.453 -0.779 . . . . 0.0 109.603 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.9 -49.91 75.54 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.653 -0.654 . . . . 0.0 109.335 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.38 -41.42 80.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.932 -0.48 . . . . 0.0 110.035 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . 0.429 ' HA ' HD13 ' X' ' 27' ' ' ILE . 13.1 m170 -58.84 -41.42 86.87 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.643 -0.661 . . . . 0.0 109.984 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -65.72 -37.09 85.46 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.622 -0.674 . . . . 0.0 110.218 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -63.67 -30.21 71.35 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.382 -0.824 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' X' ' 24' ' ' HIS . 25.7 mt -79.69 -34.84 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.373 -0.829 . . . . 0.0 110.271 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.842 -1.075 . . . . 0.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.131 0.491 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.93 -47.87 84.42 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.692 -0.63 . . . . 0.0 110.684 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.84 88.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.494 -0.754 . . . . 0.0 110.333 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.62 97.07 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.606 -0.684 . . . . 0.0 110.278 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.85 97.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.303 -0.873 . . . . 0.0 109.93 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -36.51 81.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.25 -39.88 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' THR . . . . . 0.481 ' HA ' HD13 ' X' ' 11' ' ' LEU . 29.8 m -65.16 -37.19 86.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.87 92.2 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.681 -0.637 . . . . 0.0 110.147 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.1 -39.9 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' X' ' 8' ' ' THR . 28.2 mt -64.45 -39.41 93.77 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.713 -0.617 . . . . 0.0 110.225 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -59.58 -44.16 93.43 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.819 -0.551 . . . . 0.0 109.908 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -70.41 -35.78 73.63 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 110.278 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.7 -41.56 86.57 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.457 -0.777 . . . . 0.0 110.435 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -68.23 -42.89 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.513 -0.742 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.46 -44.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.503 -0.748 . . . . 0.0 109.867 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.37 -36.71 83.13 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.54 -0.725 . . . . 0.0 110.345 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.32 -40.16 70.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.515 -0.741 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -41.98 84.59 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.5 -39.23 85.15 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.308 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -39.84 77.55 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.612 -0.68 . . . . 0.0 110.135 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -61.32 -45.55 93.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.517 -0.74 . . . . 0.0 109.541 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.36 -38.2 90.25 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.687 -0.633 . . . . 0.0 109.869 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -58.42 -42.48 87.33 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.653 -0.654 . . . . 0.0 110.012 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -35.56 80.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.576 -0.703 . . . . 0.0 109.907 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -32.48 74.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.421 -0.799 . . . . 0.0 109.96 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mt -79.04 -48.02 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.35 -0.843 . . . . 0.0 109.988 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.288 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.267 0.556 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -161.27 -176.71 5.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.562 -0.711 . . . . 0.0 110.26 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.57 84.98 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.606 -0.684 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.98 89.02 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.483 -0.76 . . . . 0.0 110.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.93 86.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.435 -0.791 . . . . 0.0 109.836 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -63.2 -35.34 80.0 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.371 -0.831 . . . . 0.0 109.269 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.477 ' HA ' HD12 ' X' ' 10' ' ' ILE . 87.5 t -64.7 -40.08 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' THR . . . . . 0.433 ' HA ' HD12 ' X' ' 11' ' ' LEU . 24.4 m -67.16 -36.08 81.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.651 -0.656 . . . . 0.0 109.686 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.01 97.09 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.698 -0.626 . . . . 0.0 110.261 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' X' ' 7' ' ' VAL . 36.4 mt -59.11 -39.93 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.5 mt -65.9 -38.43 88.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 110.179 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -60.07 -45.56 92.49 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.684 -0.635 . . . . 0.0 110.318 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -70.24 -34.8 73.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.441 -0.787 . . . . 0.0 110.299 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.69 -45.87 90.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 85.3 m -60.32 -40.1 89.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.84 -42.25 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.499 -0.75 . . . . 0.0 109.704 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -63.08 -39.07 93.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.443 -0.786 . . . . 0.0 109.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.5 88.79 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 110.07 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -46.33 89.09 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.26 -37.88 86.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.73 -0.606 . . . . 0.0 109.419 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.68 -47.61 81.85 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.671 -0.643 . . . . 0.0 109.942 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -63.02 -41.36 99.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.611 -0.681 . . . . 0.0 110.111 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.06 -45.38 87.15 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.587 -0.696 . . . . 0.0 109.629 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -65.17 -39.51 93.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.695 -0.628 . . . . 0.0 110.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.88 -37.64 77.03 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.457 -0.777 . . . . 0.0 109.927 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.57 -30.76 67.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mm -80.47 -40.94 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.372 -0.83 . . . . 0.0 110.326 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.448 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 120.838 0.352 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.65 -52.17 2.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.42 -0.8 . . . . 0.0 110.175 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.63 91.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.49 -0.756 . . . . 0.0 110.309 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.28 91.85 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.621 -0.674 . . . . 0.0 110.22 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.47 97.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.969 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -62.42 -35.84 80.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.429 -0.794 . . . . 0.0 109.565 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.481 ' HA ' HD11 ' X' ' 10' ' ' ILE . 93.9 t -63.0 -40.04 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.5 m -66.2 -37.34 85.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.572 -0.705 . . . . 0.0 109.641 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.751 -0.593 . . . . 0.0 110.355 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' X' ' 7' ' ' VAL . 58.7 mt -59.35 -40.75 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.81 -40.47 95.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.669 -0.644 . . . . 0.0 109.779 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -68.56 -41.58 79.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -61.83 -34.43 75.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.589 -0.695 . . . . 0.0 110.125 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.23 82.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.555 -0.716 . . . . 0.0 109.694 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -60.02 -42.37 94.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.567 -0.708 . . . . 0.0 109.48 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.17 -43.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.663 -0.648 . . . . 0.0 109.672 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.5 m -60.9 -40.72 94.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.537 -0.727 . . . . 0.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.22 94.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.45 -0.782 . . . . 0.0 110.226 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -40.92 91.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.76 -39.94 91.54 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.603 . . . . 0.0 109.689 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -44.34 97.4 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.57 -0.706 . . . . 0.0 109.654 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -42.12 97.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.649 -0.657 . . . . 0.0 110.003 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.79 -44.65 96.55 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.636 -0.665 . . . . 0.0 109.821 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -65.16 -38.64 91.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.594 -0.691 . . . . 0.0 109.88 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.34 -36.15 81.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.634 -0.666 . . . . 0.0 109.962 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -30.33 67.77 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.404 -0.81 . . . . 0.0 109.989 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -83.5 -37.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.421 -0.8 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.361 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 120.698 0.285 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.64 55.35 5.63 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.701 -0.625 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.41 71.23 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.354 -0.841 . . . . 0.0 110.442 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.36 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.508 -0.745 . . . . 0.0 110.267 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.82 98.63 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.468 -0.77 . . . . 0.0 110.197 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.76 -35.53 80.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.308 -0.87 . . . . 0.0 109.329 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.487 ' HA ' HD13 ' X' ' 10' ' ' ILE . 90.4 t -64.04 -39.54 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 64.4 m -66.89 -36.56 82.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.535 -0.728 . . . . 0.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.71 -0.619 . . . . 0.0 109.983 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' X' ' 7' ' ' VAL . 67.6 mt -58.27 -41.32 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -38.53 89.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.862 -0.524 . . . . 0.0 110.381 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -57.89 -41.36 82.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.681 -0.637 . . . . 0.0 110.234 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -70.31 -34.9 73.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.283 -0.885 . . . . 0.0 109.607 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.03 -44.05 90.41 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.644 -0.66 . . . . 0.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.5 p -65.54 -40.3 92.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -0.777 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.84 -45.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.429 -0.794 . . . . 0.0 109.676 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 93.0 m -65.11 -44.58 88.28 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.483 -0.761 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -64.19 -39.02 93.1 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -0.81 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.57 -40.93 80.08 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.63 -41.44 92.66 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.602 -0.686 . . . . 0.0 109.537 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.28 -41.55 80.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.444 -0.785 . . . . 0.0 109.647 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.57 85.42 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.697 -0.627 . . . . 0.0 110.115 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.31 -39.27 78.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -64.52 -42.33 95.83 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 110.161 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.25 -40.47 97.5 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.5 -0.75 . . . . 0.0 110.02 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -67.11 -27.12 67.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.552 -0.718 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.57 -40.79 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.412 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 120.919 0.39 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.67 176.7 5.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.286 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.62 91.75 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.32 93.91 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.552 -0.717 . . . . 0.0 110.152 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.27 90.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.421 -0.799 . . . . 0.0 110.004 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -36.17 82.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.379 -0.825 . . . . 0.0 109.35 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.66 -39.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 58.9 m -67.18 -36.91 82.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.524 -0.735 . . . . 0.0 109.859 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.7 88.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -60.97 -39.1 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -38.11 89.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.703 -0.623 . . . . 0.0 109.831 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.444 ' O ' HG22 ' X' ' 15' ' ' THR . 1.6 t -63.56 -44.66 93.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.834 -0.541 . . . . 0.0 110.564 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.2 p -72.87 -33.37 66.03 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.133 -0.979 . . . . 0.0 110.394 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.43 -46.01 88.31 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.4 -0.812 . . . . 0.0 110.792 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 15' ' ' THR . . . . . 0.444 HG22 ' O ' ' X' ' 12' ' ' SER . 9.9 t -67.82 -36.25 80.07 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.439 -0.788 . . . . 0.0 110.697 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.95 -45.69 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.263 -0.898 . . . . 0.0 110.144 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 19.2 m -64.52 -40.15 95.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.374 -0.829 . . . . 0.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.29 -42.81 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.347 -0.845 . . . . 0.0 110.194 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.85 -41.6 78.22 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -39.92 89.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.724 -0.61 . . . . 0.0 109.723 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -43.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -60.7 -47.73 84.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.605 -0.684 . . . . 0.0 109.42 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . 0.427 ' O ' HG12 ' X' ' 27' ' ' ILE . 1.1 tt -59.82 -40.33 88.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 122.009 -0.432 . . . . 0.0 110.086 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -43.49 98.77 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.575 -0.703 . . . . 0.0 109.944 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -60.2 -34.9 74.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 109.608 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -67.33 -27.29 67.02 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.513 -0.742 . . . . 0.0 110.067 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . 0.427 HG12 ' O ' ' X' ' 23' ' ' LEU . 41.2 mm -83.83 -42.92 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.431 -0.793 . . . . 0.0 110.171 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 117.699 -1.143 . . . . 0.0 110.823 -179.769 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.002 0.43 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.39 -55.49 27.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.559 -0.713 . . . . 0.0 110.196 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.86 67.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.581 -0.7 . . . . 0.0 110.317 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.2 96.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.579 -0.7 . . . . 0.0 109.778 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.64 78.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.478 -0.764 . . . . 0.0 109.695 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -65.0 -36.98 86.15 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.451 -0.781 . . . . 0.0 109.103 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.456 ' HA ' HD12 ' X' ' 10' ' ' ILE . 94.2 t -63.36 -39.11 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -67.78 -37.92 82.69 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.611 -0.681 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.45 98.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.688 -0.632 . . . . 0.0 110.295 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.41 -39.95 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.79 -38.69 92.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.76 -0.588 . . . . 0.0 110.127 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -59.55 -43.78 93.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.791 -0.568 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -73.52 -34.49 65.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 109.978 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -43.8 94.13 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.505 -0.747 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.334 -0.854 . . . . 0.0 109.865 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.13 -42.17 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 0.0 109.372 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 9.7 m -65.23 -39.57 92.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.54 -0.725 . . . . 0.0 109.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -38.48 91.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.408 -0.807 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.25 -41.17 88.16 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -39.41 93.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.678 -0.639 . . . . 0.0 109.538 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -60.04 -46.16 90.44 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.522 -0.736 . . . . 0.0 109.605 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -59.96 -40.79 90.26 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.73 -0.607 . . . . 0.0 110.005 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.76 -43.0 99.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.639 -0.663 . . . . 0.0 109.83 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.67 -39.57 94.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.502 -0.749 . . . . 0.0 109.961 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.99 -36.12 82.43 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.0 110.115 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -65.36 -33.66 76.48 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.509 -0.745 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -79.34 -29.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.44 -0.787 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.56 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 121.283 0.563 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.71 -51.61 1.15 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.356 -0.84 . . . . 0.0 110.666 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.04 -51.02 70.95 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.439 -0.788 . . . . 0.0 110.375 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.61 95.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.22 99.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.365 -0.834 . . . . 0.0 110.036 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -36.04 78.95 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.491 -0.756 . . . . 0.0 109.629 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' X' ' 10' ' ' ILE . 83.9 t -63.36 -39.22 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 30.8 m -67.83 -36.93 81.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.525 -0.734 . . . . 0.0 109.803 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.5 94.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 0.0 110.12 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' X' ' 7' ' ' VAL . 47.6 mt -57.99 -41.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.66 -40.54 88.67 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.29 0.567 . . . . 0.0 109.951 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 20.7 m -60.56 -43.44 97.26 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.785 -0.572 . . . . 0.0 109.839 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 71.6 m -61.74 -39.28 91.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.575 -0.703 . . . . 0.0 109.317 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -42.87 99.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.688 . . . . 0.0 109.438 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 90.9 m -53.66 -42.4 67.85 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.655 -0.653 . . . . 0.0 109.791 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . 0.449 ' HA ' HD13 ' X' ' 19' ' ' LEU . 97.4 t -65.47 -44.36 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.567 -0.708 . . . . 0.0 109.468 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -66.18 -39.34 89.65 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.528 -0.733 . . . . 0.0 109.684 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -41.08 81.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.645 -0.659 . . . . 0.0 110.024 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' X' ' 16' ' ' VAL . 8.4 mt -58.92 -47.39 85.19 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -38.49 88.49 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -57.99 -40.44 80.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.662 -0.649 . . . . 0.0 110.099 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -65.9 -45.49 81.78 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.553 -0.717 . . . . 0.0 109.619 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -57.99 -42.44 85.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.72 -0.612 . . . . 0.0 109.837 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -65.27 -39.42 92.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.042 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.43 -36.42 78.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 109.946 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -70.01 -33.21 71.72 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.642 -0.662 . . . . 0.0 109.929 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' X' ' 28' ' ' SER . 72.4 mt -76.06 -31.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.387 -0.821 . . . . 0.0 110.614 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 28' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' X' ' 27' ' ' ILE . 58.3 m . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.605 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 120.922 0.391 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -147.01 49.61 1.12 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.22 -44.54 64.86 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.396 -0.815 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.46 98.63 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.442 -0.786 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.36 90.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.497 -0.752 . . . . 0.0 110.031 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -62.96 -36.56 83.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.393 -0.817 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.99 -39.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -65.35 -36.89 85.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.589 -0.694 . . . . 0.0 109.567 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.1 95.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.73 -0.606 . . . . 0.0 110.07 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.34 -39.72 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' X' ' 14' ' ' LEU . 13.7 tp -64.22 -40.11 95.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.656 -0.653 . . . . 0.0 109.325 178.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.1 m -68.57 -40.81 80.43 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -58.41 -36.02 72.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.744 -0.597 . . . . 0.0 109.974 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' X' ' 11' ' ' LEU . 2.4 mt -59.38 -43.99 92.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.495 -0.753 . . . . 0.0 109.698 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -60.81 -41.02 94.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.678 -0.639 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.86 -43.38 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 0.0 109.703 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.53 -44.53 95.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.537 -0.727 . . . . 0.0 109.738 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.63 -40.37 83.18 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.891 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.29 -41.66 72.6 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -39.59 91.81 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.728 -0.608 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -48.28 81.96 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.469 -0.77 . . . . 0.0 110.032 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -39.21 93.79 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 110.158 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -41.85 93.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.429 -0.794 . . . . 0.0 109.745 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.48 -38.94 91.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.608 -0.683 . . . . 0.0 109.827 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.7 -38.14 89.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.645 -0.659 . . . . 0.0 109.981 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -33.71 71.79 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.471 -0.768 . . . . 0.0 110.796 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -83.78 -50.23 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.33 -0.856 . . . . 0.0 110.175 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.881 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.75 0.31 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.17 89.86 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 121.405 0.621 . . . . 0.0 111.365 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.13 69.38 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.4 -0.812 . . . . 0.0 110.134 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.69 88.52 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.691 -0.63 . . . . 0.0 109.974 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.98 87.99 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.491 -0.755 . . . . 0.0 109.737 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.82 -37.61 87.45 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.493 ' HA ' HD11 ' X' ' 10' ' ' ILE . 98.6 t -62.07 -40.05 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -67.33 -36.36 81.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.12 94.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.621 -0.675 . . . . 0.0 110.225 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' X' ' 7' ' ' VAL . 52.5 mt -59.26 -41.18 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -39.44 91.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.773 -0.58 . . . . 0.0 109.684 178.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -59.27 -37.38 77.49 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.864 -0.523 . . . . 0.0 109.846 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -61.04 -44.7 97.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.655 -0.653 . . . . 0.0 109.606 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -42.26 99.51 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.667 -0.646 . . . . 0.0 109.75 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -56.45 -41.72 76.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.648 -0.658 . . . . 0.0 109.724 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -62.84 -42.26 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.51 -0.744 . . . . 0.0 109.764 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -61.27 -38.98 88.69 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.425 -0.797 . . . . 0.0 109.573 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -39.92 95.75 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.118 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.18 -41.79 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.83 -39.56 90.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.713 -0.617 . . . . 0.0 109.994 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -44.7 94.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.407 -0.808 . . . . 0.0 110.063 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -42.42 79.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.582 -0.699 . . . . 0.0 110.123 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.08 -35.17 66.69 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 110.655 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -56.16 -39.91 73.07 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 0.0 110.017 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 -37.72 78.23 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.666 -0.646 . . . . 0.0 110.196 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -32.29 73.94 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.495 -0.753 . . . . 0.0 110.317 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -76.85 -34.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.255 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.401 179.959 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.137 0.494 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -165.95 -52.24 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.573 -0.705 . . . . 0.0 110.523 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.78 -42.19 71.46 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.506 -0.746 . . . . 0.0 110.956 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.98 99.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 110.29 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.76 88.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -62.81 -35.15 78.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.337 -0.852 . . . . 0.0 109.31 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.28 -40.11 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 17.1 m -67.34 -36.81 82.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.703 -0.623 . . . . 0.0 109.887 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.71 89.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.728 -0.608 . . . . 0.0 110.118 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.95 -42.38 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.37 -41.46 85.02 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.478 0.656 . . . . 0.0 109.571 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 29.1 m -63.34 -41.43 98.86 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.877 -0.515 . . . . 0.0 110.039 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -67.69 -33.53 75.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.4 -0.813 . . . . 0.0 109.989 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -48.91 73.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.579 -0.701 . . . . 0.0 110.101 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -58.78 -39.32 80.68 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.504 -0.748 . . . . 0.0 109.884 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.41 -42.26 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 178.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -64.91 -40.03 94.44 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 109.673 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.44 -44.1 96.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.581 -0.7 . . . . 0.0 110.324 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -41.93 82.48 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.028 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -39.22 90.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.667 -0.646 . . . . 0.0 109.836 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -42.89 99.46 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.436 -0.79 . . . . 0.0 110.031 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -63.09 -41.92 99.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.843 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.4 -38.26 88.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.527 -0.733 . . . . 0.0 109.998 179.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . 0.406 ' O ' HG23 ' X' ' 27' ' ' ILE . 3.8 t-80 -65.65 -39.71 91.68 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.573 -0.705 . . . . 0.0 110.37 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -35.18 75.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -28.23 64.57 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.533 -0.729 . . . . 0.0 110.847 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . 0.406 HG23 ' O ' ' X' ' 24' ' ' HIS . 0.1 OUTLIER -73.48 -30.1 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.319 -0.863 . . . . 0.0 110.577 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.989 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.03 0.443 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.98 -37.24 6.38 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.616 -0.677 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.89 -49.9 64.13 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.249 -0.907 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.8 90.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.505 -0.747 . . . . 0.0 110.343 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.63 99.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -35.75 78.91 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.335 -0.853 . . . . 0.0 109.398 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.54 -39.15 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -65.84 -37.54 86.48 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.585 -0.697 . . . . 0.0 109.798 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.53 88.15 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.42 ' HA ' HD12 ' X' ' 10' ' ' ILE . 18.5 mm -59.63 -39.17 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 43.6 tp -64.38 -38.72 92.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.576 -0.703 . . . . 0.0 109.774 178.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -60.14 -45.97 91.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.726 -0.609 . . . . 0.0 110.041 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -74.7 -32.89 62.31 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.222 -0.924 . . . . 0.0 110.017 179.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.99 -41.94 88.83 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.527 -0.733 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.6 p -60.32 -41.46 93.56 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.371 -0.831 . . . . 0.0 109.826 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.02 -42.2 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.611 -0.681 . . . . 0.0 109.384 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -63.08 -40.02 96.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.593 -0.692 . . . . 0.0 109.718 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -39.63 90.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.695 . . . . 0.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.51 -44.02 89.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -40.27 87.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.8 -0.563 . . . . 0.0 109.56 178.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.45 94.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.61 -0.681 . . . . 0.0 110.01 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.6 98.47 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.551 -0.718 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -40.69 89.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.672 -0.643 . . . . 0.0 109.909 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -64.22 -41.51 97.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.602 -0.686 . . . . 0.0 109.96 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -61.55 -34.82 76.22 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 0.0 110.021 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -32.53 72.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.519 -0.738 . . . . 0.0 109.873 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mt -83.7 -46.01 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.0 110.052 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.314 -179.914 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.46 178.25 7.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.12 95.04 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.592 -0.692 . . . . 0.0 110.044 179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.638 -0.664 . . . . 0.0 110.094 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.18 96.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.828 . . . . 0.0 109.941 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.68 -36.2 80.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.423 -0.798 . . . . 0.0 109.391 178.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.545 ' HA ' HD11 ' X' ' 10' ' ' ILE . 99.0 t -63.7 -39.9 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -66.46 -36.98 84.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.509 -0.744 . . . . 0.0 109.727 178.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.34 96.65 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.624 -0.672 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.03 -41.23 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.73 -38.17 88.43 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.76 -0.587 . . . . 0.0 109.973 178.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -61.73 -33.11 73.46 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.849 -0.532 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -37.61 78.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.291 -0.88 . . . . 0.0 109.374 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -47.14 74.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.637 -0.664 . . . . 0.0 110.476 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -58.01 -39.11 77.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.405 -0.809 . . . . 0.0 110.019 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.76 -42.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.5 m -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.457 -0.777 . . . . 0.0 109.489 179.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -39.54 93.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 109.775 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.491 ' HA ' ' HD3' ' X' ' 22' ' ' ARG . 7.9 mt -57.85 -37.95 74.79 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -40.34 95.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.568 -0.708 . . . . 0.0 109.094 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -63.85 -37.46 87.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.573 -0.705 . . . . 0.0 109.628 178.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . 0.491 ' HD3' ' HA ' ' X' ' 19' ' ' LEU . 22.3 mtp180 -60.58 -48.49 81.53 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.455 -0.778 . . . . 0.0 109.595 179.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.17 90.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.635 -0.666 . . . . 0.0 109.673 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -63.72 -45.06 91.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 0.0 109.862 179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.13 -39.99 88.19 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.695 -0.628 . . . . 0.0 109.984 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -58.3 -36.75 73.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.507 -0.746 . . . . 0.0 109.917 179.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.28 -45.61 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.0 109.681 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.229 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -140.64 139.46 34.85 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.815 . . . . 0.0 110.152 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -47.35 69.52 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.39 98.24 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.27 -0.894 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.85 91.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.446 -0.784 . . . . 0.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -62.07 -36.24 81.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.349 -0.844 . . . . 0.0 109.626 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' X' ' 10' ' ' ILE . 74.1 t -63.85 -40.13 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 178.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -70.68 -36.07 73.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 109.906 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.87 92.0 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.709 -0.619 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' X' ' 7' ' ' VAL . 51.8 mt -57.36 -41.69 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.287 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -38.15 86.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.592 -0.692 . . . . 0.0 110.023 179.014 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 70.8 m -64.71 -46.6 81.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.714 -0.616 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.2 p -64.86 -34.35 78.18 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.58 -46.75 86.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.347 -0.846 . . . . 0.0 110.095 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -37.11 80.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.526 -0.734 . . . . 0.0 110.206 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.76 -46.26 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -63.25 -41.14 99.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.277 -0.889 . . . . 0.0 110.301 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.84 -39.38 94.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.293 -0.879 . . . . 0.0 110.149 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.99 -39.2 94.03 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.01 -39.53 90.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.791 -0.568 . . . . 0.0 109.968 178.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.39 -44.67 95.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.368 -0.833 . . . . 0.0 109.784 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -42.76 88.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.622 -0.674 . . . . 0.0 110.023 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tp -68.81 -35.53 77.11 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.788 . . . . 0.0 110.46 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -40.0 74.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.29 -0.881 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.53 -43.26 99.19 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.356 -0.84 . . . . 0.0 109.202 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -70.59 -31.73 68.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.624 -0.673 . . . . 0.0 109.863 178.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 mm -74.67 -52.8 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.154 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.925 -179.816 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 120.966 0.412 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.0 -56.06 2.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.528 -0.732 . . . . 0.0 110.322 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.19 68.51 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.541 -0.725 . . . . 0.0 110.833 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.05 77.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.502 -0.749 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.6 98.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.398 -0.814 . . . . 0.0 110.106 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.89 -35.59 78.8 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.408 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.05 -39.78 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -64.84 -37.91 89.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.575 -0.703 . . . . 0.0 109.723 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.44 89.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.735 -0.603 . . . . 0.0 110.24 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.69 -40.98 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -39.8 94.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 178.67 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -59.71 -37.69 79.56 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.777 -0.577 . . . . 0.0 109.64 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.09 -41.78 98.54 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.611 -0.681 . . . . 0.0 109.275 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.88 92.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.727 -0.608 . . . . 0.0 109.755 179.151 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 31.4 m -59.79 -42.3 93.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.52 -0.737 . . . . 0.0 109.545 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.45 -42.21 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -63.98 -38.79 92.36 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.578 -0.701 . . . . 0.0 110.016 179.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -40.98 96.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.41 77.7 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.715 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -40.11 91.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.643 -0.66 . . . . 0.0 109.574 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -60.35 -44.36 95.63 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.415 -0.803 . . . . 0.0 109.642 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -39.85 91.37 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 109.777 179.026 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.24 -43.23 92.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.568 -0.707 . . . . 0.0 109.809 179.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -65.82 -39.13 90.56 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.91 -35.76 79.33 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.443 -0.786 . . . . 0.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -69.85 -34.45 73.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.312 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mt -78.95 -49.26 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.531 -0.73 . . . . 0.0 110.081 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.537 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' X' X ' 1' ' ' SER . . . . . 0.408 ' O ' ' C ' ' X' ' 2' ' ' ASP . 22.0 m . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 120.782 0.325 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' X' ' 1' ' ' SER . 2.9 p-10 31.77 52.46 0.21 Allowed 'General case' 0 N--CA 1.508 2.463 0 CA-C-O 121.451 0.643 . . . . 0.0 112.197 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.06 72.99 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.286 -0.884 . . . . 0.0 110.547 179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.49 81.24 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.475 -0.765 . . . . 0.0 110.269 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.6 87.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.818 . . . . 0.0 109.943 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -36.53 80.5 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.51 -0.744 . . . . 0.0 109.444 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' X' ' 10' ' ' ILE . 96.1 t -63.88 -39.94 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.241 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -67.05 -36.3 81.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.529 -0.732 . . . . 0.0 109.683 178.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.95 92.86 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.703 -0.623 . . . . 0.0 110.142 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' X' ' 7' ' ' VAL . 61.1 mt -60.08 -41.09 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -40.76 87.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.824 -0.548 . . . . 0.0 109.855 178.754 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.5 m -58.93 -42.7 90.33 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.815 -0.553 . . . . 0.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -62.69 -40.77 98.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.686 -0.634 . . . . 0.0 109.694 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.28 -42.79 99.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.659 -0.65 . . . . 0.0 109.695 179.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 60.1 m -55.94 -42.12 75.69 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.643 -0.661 . . . . 0.0 109.746 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' X' ' 19' ' ' LEU . 91.8 t -64.48 -43.85 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.651 -0.655 . . . . 0.0 109.567 179.157 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -59.97 -39.49 85.83 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.533 -0.73 . . . . 0.0 109.947 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.76 -40.98 97.03 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.127 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' X' ' 16' ' ' VAL . 8.3 mt -56.37 -42.12 77.32 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.84 -40.42 91.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.686 -0.634 . . . . 0.0 109.733 178.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -61.89 -44.35 96.98 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.418 -0.801 . . . . 0.0 110.085 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -39.59 86.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.625 -0.672 . . . . 0.0 109.889 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.03 -42.76 95.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.49 -0.756 . . . . 0.0 109.482 178.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -65.53 -40.41 92.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 109.399 178.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.72 -33.33 73.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.677 -0.639 . . . . 0.0 109.974 179.079 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -69.55 -32.75 71.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.496 -0.752 . . . . 0.0 110.108 179.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.0 mt -81.32 -45.4 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.44 -0.787 . . . . 0.0 110.596 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.695 -179.632 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.246 0.546 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.87 64.37 0.75 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.774 . . . . 0.0 110.312 -179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.2 99.34 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.419 -0.801 . . . . 0.0 110.073 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.74 92.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.91 96.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.321 -0.862 . . . . 0.0 109.847 179.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -60.76 -36.34 78.68 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.459 -0.776 . . . . 0.0 109.489 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 7' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.9 t -63.3 -39.57 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.341 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -68.45 -36.45 79.03 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.584 -0.698 . . . . 0.0 109.743 178.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.13 88.99 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.77 -0.581 . . . . 0.0 110.25 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' X' ' 7' ' ' VAL . 50.9 mt -60.66 -40.82 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.306 0.574 . . . . 0.0 109.914 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -60.52 -45.7 92.87 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.774 -0.579 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 52.7 p -64.23 -35.12 79.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.447 -0.783 . . . . 0.0 109.837 179.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.518 -0.739 . . . . 0.0 109.686 179.209 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.7 m -57.6 -42.14 82.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.652 -0.655 . . . . 0.0 109.556 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.79 -43.15 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.581 -0.699 . . . . 0.0 109.613 179.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.85 -39.34 88.76 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -39.63 93.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.463 -0.773 . . . . 0.0 109.879 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.62 -45.11 89.91 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.17 -39.7 89.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.737 -0.602 . . . . 0.0 109.664 178.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -61.11 -38.26 85.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.612 -0.68 . . . . 0.0 109.863 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.19 -43.06 99.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.52 -0.738 . . . . 0.0 109.405 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.42 -41.44 93.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.591 . . . . 0.0 109.425 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -64.23 -41.53 96.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.626 -0.671 . . . . 0.0 110.01 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -37.5 77.84 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.816 179.293 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.32 -34.49 77.8 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.545 -0.722 . . . . 0.0 109.808 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 19.2 mt -83.08 -42.47 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.552 -0.717 . . . . 0.0 109.559 179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.76 -1.114 . . . . 0.0 110.135 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.042 0 CA-C-O 120.961 0.41 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.25 96.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.805 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.74 90.53 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.538 -0.726 . . . . 0.0 109.718 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -62.08 -36.43 81.65 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.526 -0.734 . . . . 0.0 109.537 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.476 HG23 ' O ' ' X' ' 3' ' ' ALA . 83.0 t -63.72 -39.81 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -68.25 -36.59 79.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.595 -0.691 . . . . 0.0 109.711 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.54 94.23 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.783 -0.573 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' X' ' 7' ' ' VAL . 53.0 mt -56.97 -42.04 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.64 -39.67 88.38 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.764 -0.585 . . . . 0.0 110.192 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -59.61 -44.39 93.43 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.67 -0.644 . . . . 0.0 110.257 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 45.5 m -62.83 -39.07 93.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.611 -0.681 . . . . 0.0 109.903 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -42.26 94.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.673 -0.642 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -57.58 -42.51 83.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.91 -42.89 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.668 -0.645 . . . . 0.0 109.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.3 m -60.15 -39.47 86.45 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.495 -0.753 . . . . 0.0 110.121 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.15 -46.02 85.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.525 -0.734 . . . . 0.0 110.276 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -38.71 72.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.45 -40.22 89.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.7 -0.625 . . . . 0.0 109.811 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -62.02 -41.2 97.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.522 -0.737 . . . . 0.0 109.996 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.19 95.94 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.61 -0.681 . . . . 0.0 109.767 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.83 -45.74 92.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -65.04 -39.37 93.23 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.673 . . . . 0.0 109.888 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.75 -36.6 74.6 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.528 -0.733 . . . . 0.0 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -72.47 -37.56 68.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.506 -0.746 . . . . 0.0 110.054 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.48 -43.91 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.513 -0.742 . . . . 0.0 110.374 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.461 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.981 0 CA-C-O 120.817 0.342 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.96 97.52 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 0.0 110.017 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.82 85.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 109.802 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -36.78 82.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 109.346 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.462 HG23 ' O ' ' X' ' 3' ' ' ALA . 92.1 t -63.3 -39.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.1 -36.49 82.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.646 -0.659 . . . . 0.0 109.919 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.78 94.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.68 -0.638 . . . . 0.0 110.169 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' X' ' 10' ' ' ILE . 22.3 mm -58.57 -41.4 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -37.76 86.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.794 -0.567 . . . . 0.0 110.231 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -45.67 90.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.681 -0.637 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -64.39 -37.64 88.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.467 -0.771 . . . . 0.0 109.455 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.07 -36.66 82.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.67 -0.644 . . . . 0.0 109.851 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -59.07 -43.62 91.78 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.593 -0.692 . . . . 0.0 109.519 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.85 -47.94 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.625 -0.672 . . . . 0.0 109.225 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -62.35 -39.06 91.9 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.666 -0.647 . . . . 0.0 109.739 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -63.67 -44.32 94.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.412 -0.805 . . . . 0.0 109.966 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.68 -37.58 65.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.8 -43.28 84.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.496 -0.752 . . . . 0.0 109.765 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -39.3 80.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.378 -0.826 . . . . 0.0 109.985 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.68 95.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.543 -0.723 . . . . 0.0 109.815 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.84 -40.54 83.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.456 -0.777 . . . . 0.0 109.987 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -62.88 -39.98 96.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.553 -0.717 . . . . 0.0 110.3 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -37.35 84.84 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.762 . . . . 0.0 109.981 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -70.25 -29.92 66.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.448 -0.782 . . . . 0.0 110.183 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -83.83 -52.02 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.366 -0.834 . . . . 0.0 110.027 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.823 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.536 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.981 0.419 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.0 92.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.456 -0.777 . . . . 0.0 110.099 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.7 98.45 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.49 -0.756 . . . . 0.0 110.388 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 6' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' X' ' 7' ' ' VAL . 0.0 OUTLIER -63.28 -33.22 75.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 179.25 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.536 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.6 t -64.45 -39.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -65.2 -37.34 87.01 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.596 -0.69 . . . . 0.0 109.557 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.63 85.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.731 -0.606 . . . . 0.0 110.24 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' X' ' 10' ' ' ILE . 17.9 mm -60.09 -40.2 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.42 -40.65 93.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.752 -0.592 . . . . 0.0 109.69 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m -69.17 -43.51 74.11 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.789 -0.57 . . . . 0.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.1 m -61.33 -34.9 76.03 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.63 -0.668 . . . . 0.0 110.222 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -35.92 73.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.627 -0.671 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -60.54 -45.23 94.62 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.459 -0.776 . . . . 0.0 109.97 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.2 -42.16 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.533 -0.729 . . . . 0.0 109.679 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -60.23 -39.9 88.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -0.816 . . . . 0.0 110.108 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -41.89 99.43 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.467 -0.771 . . . . 0.0 109.992 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.72 -42.42 93.03 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.54 -39.39 91.7 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -59.78 -37.64 79.63 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.544 -0.723 . . . . 0.0 109.706 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -45.8 91.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.595 -0.691 . . . . 0.0 109.411 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.61 -46.05 87.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.738 -0.601 . . . . 0.0 109.695 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -65.3 -40.51 93.89 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.597 -0.689 . . . . 0.0 109.7 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.77 -35.06 73.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.621 -0.674 . . . . 0.0 109.792 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -69.68 -33.49 72.63 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.516 -0.74 . . . . 0.0 109.585 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mm -75.7 -39.32 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.544 -0.722 . . . . 0.0 109.961 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.339 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 120.91 0.385 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.4 96.35 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.506 -0.747 . . . . 0.0 110.415 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.3 90.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.423 -0.798 . . . . 0.0 110.053 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' X' ' 6' ' ' ARG . 10.9 mmp_? -63.66 -35.7 81.42 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.218 -0.926 . . . . 0.0 109.378 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' X' ' 10' ' ' ILE . 91.8 t -63.09 -38.92 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -68.48 -36.47 78.99 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 109.559 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.69 88.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.792 -0.568 . . . . 0.0 110.336 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' X' ' 7' ' ' VAL . 41.7 mt -61.24 -41.34 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -39.95 90.42 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.17 0.509 . . . . 0.0 110.076 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.8 t -61.08 -44.28 97.6 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.729 -0.607 . . . . 0.0 110.092 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -62.92 -39.66 95.24 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.519 -0.738 . . . . 0.0 109.839 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -41.71 97.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.609 -0.682 . . . . 0.0 110.048 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -61.6 -41.44 97.44 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.575 -0.703 . . . . 0.0 109.987 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.03 -43.93 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.498 -0.751 . . . . 0.0 109.885 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -62.12 -40.57 96.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.506 -0.746 . . . . 0.0 110.163 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.59 -47.27 82.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.436 -0.79 . . . . 0.0 110.081 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' X' ' 19' ' ' LEU . 2.0 mm? -54.12 -39.78 66.73 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -40.7 94.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.825 -0.547 . . . . 0.0 109.672 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.65 -42.7 99.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.538 -0.726 . . . . 0.0 109.837 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -44.36 97.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.717 -0.614 . . . . 0.0 110.025 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.79 -42.27 88.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.84 -0.537 . . . . 0.0 110.091 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -63.33 -38.92 93.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.511 -0.743 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -34.52 78.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.51 -0.744 . . . . 0.0 110.067 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -69.29 -33.16 72.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.497 -0.752 . . . . 0.0 110.063 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.39 -40.26 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 0.0 109.885 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.132 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.428 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.037 0 CA-C-O 120.649 0.261 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.16 78.92 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.354 -0.841 . . . . 0.0 110.699 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.57 90.87 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.318 -0.864 . . . . 0.0 109.901 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.23 82.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.368 -0.833 . . . . 0.0 109.35 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.0 t -62.8 -39.37 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -67.21 -37.27 83.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.517 -0.739 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.97 92.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.685 -0.634 . . . . 0.0 110.228 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.1 mt -59.48 -40.93 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.97 -38.85 86.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.66 -0.65 . . . . 0.0 110.241 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.1 t -58.65 -45.58 89.01 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.835 -0.54 . . . . 0.0 110.703 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -68.89 -36.52 78.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.476 -0.765 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.27 -46.4 88.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.434 -0.791 . . . . 0.0 110.151 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 28.2 m -63.0 -40.4 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.459 -0.776 . . . . 0.0 109.945 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.06 -42.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.398 -0.813 . . . . 0.0 109.329 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -69.05 -42.38 76.37 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.486 -0.759 . . . . 0.0 109.718 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -41.28 99.22 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.552 -0.717 . . . . 0.0 110.263 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.76 -40.14 87.18 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.37 -39.69 85.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 110.188 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -62.11 -44.72 96.04 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.454 -0.779 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -60.89 -46.99 88.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.644 -0.66 . . . . 0.0 109.883 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.4 -38.85 88.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.56 -41.42 85.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.551 -0.718 . . . . 0.0 110.178 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.95 -38.19 79.28 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 0.0 109.894 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -62.05 -32.03 72.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.48 -0.763 . . . . 0.0 110.11 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -78.86 -31.5 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.433 -0.792 . . . . 0.0 110.113 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.441 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' HD2' ' X' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 120.711 0.291 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.97 73.79 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.649 -0.657 . . . . 0.0 110.429 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.77 80.09 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.391 -0.818 . . . . 0.0 110.056 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' HA ' ' X' ' 3' ' ' ALA . 7.2 mtt180 -62.1 -37.85 86.64 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.339 -0.851 . . . . 0.0 109.305 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.11 -40.08 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.651 -0.656 . . . . 0.0 109.932 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.79 93.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.73 -0.606 . . . . 0.0 110.263 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.86 -40.01 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.34 -39.69 92.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.699 -0.626 . . . . 0.0 109.495 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -33.2 69.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.879 -0.513 . . . . 0.0 109.87 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -62.88 -39.93 95.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.11 -44.23 80.48 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.737 -0.602 . . . . 0.0 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -66.85 -40.13 87.8 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.412 -0.805 . . . . 0.0 109.974 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.74 -41.7 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.431 -0.793 . . . . 0.0 109.398 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 56.1 m -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.427 -0.796 . . . . 0.0 109.499 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.19 93.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 109.733 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.22 -39.67 79.68 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.94 -40.77 95.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.638 -0.664 . . . . 0.0 109.7 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.93 -43.27 91.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.53 -0.731 . . . . 0.0 109.854 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.65 -40.47 92.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.57 -0.706 . . . . 0.0 109.773 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.57 -39.38 83.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.743 . . . . 0.0 109.807 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 24' ' ' HIS . . . . . 0.715 ' HA ' HD12 ' X' ' 27' ' ' ILE . 0.3 OUTLIER -64.95 -39.9 94.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.674 -0.641 . . . . 0.0 109.538 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.37 79.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.659 . . . . 0.0 109.776 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -26.8 68.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.461 -0.775 . . . . 0.0 110.208 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' X' ' 24' ' ' HIS . 26.0 mt -82.21 -33.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.311 -0.868 . . . . 0.0 110.02 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.403 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 120.721 0.296 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.38 90.46 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.481 -0.762 . . . . 0.0 110.399 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.7 92.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 109.641 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.76 -35.99 81.61 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.423 -0.798 . . . . 0.0 109.165 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.8 t -63.91 -39.66 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -66.84 -36.89 83.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.539 -0.725 . . . . 0.0 109.732 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.82 95.61 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.796 -0.565 . . . . 0.0 110.111 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.4 mt -59.47 -40.3 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.52 -39.61 94.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.687 -0.633 . . . . 0.0 109.978 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -61.56 -42.5 98.93 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -67.43 -35.61 79.58 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.501 -0.749 . . . . 0.0 109.913 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -41.27 93.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.553 -0.717 . . . . 0.0 110.56 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -38.56 91.63 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.366 -0.834 . . . . 0.0 109.98 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.55 -42.14 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.331 -0.856 . . . . 0.0 109.482 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -64.48 -41.52 96.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.488 -0.757 . . . . 0.0 109.911 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.44 -41.06 96.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.359 -0.838 . . . . 0.0 110.497 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.44 -40.72 83.36 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' LEU . . . . . 0.896 ' HA ' HD23 ' X' ' 23' ' ' LEU . 6.8 tp -66.16 -39.96 90.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.713 -0.617 . . . . 0.0 109.855 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -65.53 -38.04 88.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.345 -0.847 . . . . 0.0 109.586 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -62.76 -46.32 88.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.657 -0.652 . . . . 0.0 110.23 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' X' ' 20' ' ' LEU . 0.3 OUTLIER -61.25 -34.78 75.7 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.633 -0.667 . . . . 0.0 109.937 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 24' ' ' HIS . . . . . 0.565 ' N ' ' HG ' ' X' ' 23' ' ' LEU . 4.8 t-80 -66.35 -39.69 89.33 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.259 -0.901 . . . . 0.0 109.556 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -33.77 76.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.676 . . . . 0.0 109.97 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -62.16 -38.74 90.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.469 -0.769 . . . . 0.0 109.733 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.663 HD12 ' O ' ' X' ' 23' ' ' LEU . 1.6 mp -84.65 -45.89 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.535 -0.728 . . . . 0.0 109.993 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.501 2.107 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.79 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.494 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.043 0 CA-C-O 120.818 0.342 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.75 99.67 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.549 -0.719 . . . . 0.0 109.977 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.15 86.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.524 -0.735 . . . . 0.0 109.73 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.84 -36.61 81.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.404 -0.81 . . . . 0.0 109.294 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' X' ' 10' ' ' ILE . 88.2 t -62.59 -39.63 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 8' ' ' THR . . . . . 0.502 ' HA ' HD12 ' X' ' 11' ' ' LEU . 9.2 m -67.08 -36.45 82.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 109.682 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.35 95.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.686 -0.633 . . . . 0.0 109.94 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' X' ' 7' ' ' VAL . 64.2 mt -57.26 -39.58 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' X' ' 8' ' ' THR . 26.6 mt -63.06 -39.98 96.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.718 -0.614 . . . . 0.0 109.715 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -35.39 79.6 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.652 179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -67.66 -33.85 75.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' X' ' 11' ' ' LEU . 1.6 mt -65.04 -44.85 87.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.58 -0.7 . . . . 0.0 110.17 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.8 p -67.63 -39.54 84.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.539 -0.726 . . . . 0.0 109.944 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.23 -47.68 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.409 -0.807 . . . . 0.0 109.385 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -64.92 -38.16 90.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -40.8 82.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.7 . . . . 0.0 109.776 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -58.62 -47.93 82.69 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.416 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -38.37 86.35 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.6 -36.13 71.33 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.752 -0.593 . . . . 0.0 109.862 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.96 90.19 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -40.86 97.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.644 -0.66 . . . . 0.0 109.417 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -65.17 -40.12 93.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.443 -0.786 . . . . 0.0 110.048 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.46 -36.7 78.88 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.453 -0.779 . . . . 0.0 109.696 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.63 -39.75 73.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.66 -0.65 . . . . 0.0 110.072 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mt -71.11 -43.46 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.655 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.002 0.43 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.32 96.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.581 -0.699 . . . . 0.0 110.038 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.78 86.71 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.493 -0.755 . . . . 0.0 109.711 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.8 86.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.583 -0.698 . . . . 0.0 109.402 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.72 -39.74 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.22 96.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.72 -0.613 . . . . 0.0 110.306 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' X' ' 10' ' ' ILE . 19.6 mm -59.46 -41.38 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.4 -39.11 88.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.752 -0.593 . . . . 0.0 110.075 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.44 ' O ' HG23 ' X' ' 16' ' ' VAL . 7.0 t -59.86 -41.35 91.28 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.813 -0.554 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -40.81 97.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.487 -0.758 . . . . 0.0 109.935 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -44.49 93.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.517 -0.74 . . . . 0.0 109.527 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 25.1 m -58.26 -40.76 82.65 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.762 -0.586 . . . . 0.0 110.118 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 16' ' ' VAL . . . . . 0.44 HG23 ' O ' ' X' ' 12' ' ' SER . 98.3 t -62.32 -43.89 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.517 -0.739 . . . . 0.0 109.935 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -40.92 99.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.455 -0.778 . . . . 0.0 110.088 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -43.88 93.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.548 -0.72 . . . . 0.0 110.2 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -38.85 74.16 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -38.87 90.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.595 -0.691 . . . . 0.0 109.65 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -44.6 97.06 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.491 -0.756 . . . . 0.0 109.652 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.75 82.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.635 -0.666 . . . . 0.0 109.882 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 23' ' ' LEU . . . . . 0.455 ' O ' HG12 ' X' ' 27' ' ' ILE . 14.1 tp -64.59 -46.55 82.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.6 -0.688 . . . . 0.0 110.193 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.66 -39.32 90.94 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.72 84.17 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.537 -0.727 . . . . 0.0 109.872 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -26.12 65.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.405 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.455 HG12 ' O ' ' X' ' 23' ' ' LEU . 34.9 mm -84.82 -52.15 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.289 -0.882 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.761 -179.64 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.479 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.2 78.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.551 -0.718 . . . . 0.0 110.852 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -36.23 83.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.364 -0.835 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.82 -38.76 86.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.414 -0.804 . . . . 0.0 109.478 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.479 HG23 ' O ' ' X' ' 3' ' ' ALA . 93.6 t -64.88 -39.69 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -67.27 -35.49 79.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.458 -0.776 . . . . 0.0 109.746 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.75 94.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.617 -0.677 . . . . 0.0 110.147 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.2 mm -61.97 -41.1 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -67.06 -39.56 86.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.779 -0.576 . . . . 0.0 109.784 178.481 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.446 ' O ' HG23 ' X' ' 16' ' ' VAL . 4.6 m -59.87 -40.27 88.06 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.811 -0.555 . . . . 0.0 110.222 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -61.3 -41.58 97.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -42.49 98.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -60.98 -41.39 96.35 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.484 -0.76 . . . . 0.0 109.994 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 12' ' ' SER . 87.5 t -60.29 -44.03 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.588 -0.695 . . . . 0.0 109.834 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.424 ' HA ' HD12 ' X' ' 20' ' ' LEU . 42.9 m -59.23 -43.89 92.35 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.35 -0.844 . . . . 0.0 109.644 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -65.96 -42.75 89.55 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.569 -0.707 . . . . 0.0 109.988 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -38.89 69.14 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 20' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' X' ' 17' ' ' THR . 13.9 mt -65.73 -41.05 92.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.681 -0.637 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -46.29 70.79 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -0.76 . . . . 0.0 109.761 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -44.83 91.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.85 -39.14 88.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.459 -0.776 . . . . 0.0 110.128 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 24' ' ' HIS . . . . . 0.415 ' O ' HG22 ' X' ' 27' ' ' ILE . 58.4 t-80 -64.58 -41.82 96.03 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.427 -0.796 . . . . 0.0 109.82 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.02 -35.23 77.95 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.449 -0.782 . . . . 0.0 109.867 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.95 -35.19 74.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.547 -0.72 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.415 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.6 OUTLIER -78.27 -28.73 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 0.0 110.722 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.496 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.466 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 120.695 0.283 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.56 81.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.345 -0.847 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.27 91.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.301 -0.874 . . . . 0.0 110.143 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.01 -35.82 79.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.34 -0.85 . . . . 0.0 109.414 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' X' ' 10' ' ' ILE . 80.3 t -63.68 -39.38 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -66.8 -36.45 82.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.634 -0.666 . . . . 0.0 109.937 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.34 95.93 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.553 -0.717 . . . . 0.0 109.872 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.4 mt -61.51 -40.14 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -39.17 92.92 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.172 0.51 . . . . 0.0 110.242 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -58.49 -45.47 88.63 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.742 -0.599 . . . . 0.0 109.772 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -63.76 -35.55 80.95 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.562 -0.711 . . . . 0.0 109.195 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.9 81.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -55.9 -46.39 78.37 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.553 -0.717 . . . . 0.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.29 -45.52 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.49 -0.756 . . . . 0.0 109.422 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -65.63 -38.48 89.52 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.545 -0.722 . . . . 0.0 109.601 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -40.69 81.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.692 -0.63 . . . . 0.0 109.878 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.14 -41.05 78.37 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -40.3 94.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.857 -0.527 . . . . 0.0 109.762 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.86 -39.92 82.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.453 -0.779 . . . . 0.0 109.603 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.9 -49.91 75.54 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.653 -0.654 . . . . 0.0 109.335 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.38 -41.42 80.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.932 -0.48 . . . . 0.0 110.035 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 24' ' ' HIS . . . . . 0.464 ' HA ' HD12 ' X' ' 27' ' ' ILE . 13.1 m170 -58.84 -41.42 86.87 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.643 -0.661 . . . . 0.0 109.984 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -65.72 -37.09 85.46 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.622 -0.674 . . . . 0.0 110.218 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -63.67 -30.21 71.35 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.382 -0.824 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' X' ' 24' ' ' HIS . 25.7 mt -79.69 -34.84 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.373 -0.829 . . . . 0.0 110.271 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.842 -1.075 . . . . 0.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.446 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.926 0.393 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.62 97.07 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.606 -0.684 . . . . 0.0 110.278 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.85 97.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.303 -0.873 . . . . 0.0 109.93 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -36.51 81.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 3' ' ' ALA . 95.4 t -63.25 -39.88 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 8' ' ' THR . . . . . 0.545 ' HA ' HD12 ' X' ' 11' ' ' LEU . 29.8 m -65.16 -37.19 86.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.87 92.2 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.681 -0.637 . . . . 0.0 110.147 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.1 -39.9 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.2 mt -64.45 -39.41 93.77 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.713 -0.617 . . . . 0.0 110.225 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -59.58 -44.16 93.43 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.819 -0.551 . . . . 0.0 109.908 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -70.41 -35.78 73.63 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 110.278 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.7 -41.56 86.57 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.457 -0.777 . . . . 0.0 110.435 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -68.23 -42.89 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.513 -0.742 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.46 -44.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.503 -0.748 . . . . 0.0 109.867 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.37 -36.71 83.13 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.54 -0.725 . . . . 0.0 110.345 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.32 -40.16 70.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.515 -0.741 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -41.98 84.59 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.5 -39.23 85.15 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.308 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -39.84 77.55 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.612 -0.68 . . . . 0.0 110.135 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -61.32 -45.55 93.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.517 -0.74 . . . . 0.0 109.541 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.36 -38.2 90.25 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.687 -0.633 . . . . 0.0 109.869 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -58.42 -42.48 87.33 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.653 -0.654 . . . . 0.0 110.012 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -35.56 80.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.576 -0.703 . . . . 0.0 109.907 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -32.48 74.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.421 -0.799 . . . . 0.0 109.96 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mt -79.04 -48.02 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.35 -0.843 . . . . 0.0 109.988 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.288 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.787 0.327 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.98 89.02 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.483 -0.76 . . . . 0.0 110.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.93 86.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.435 -0.791 . . . . 0.0 109.836 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -63.2 -35.34 80.0 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.371 -0.831 . . . . 0.0 109.269 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' X' ' 10' ' ' ILE . 87.5 t -64.7 -40.08 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' X' ' 11' ' ' LEU . 24.4 m -67.16 -36.08 81.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.651 -0.656 . . . . 0.0 109.686 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.01 97.09 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.698 -0.626 . . . . 0.0 110.261 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' X' ' 7' ' ' VAL . 36.4 mt -59.11 -39.93 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.5 mt -65.9 -38.43 88.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 110.179 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -60.07 -45.56 92.49 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.684 -0.635 . . . . 0.0 110.318 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -70.24 -34.8 73.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.441 -0.787 . . . . 0.0 110.299 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.69 -45.87 90.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 85.3 m -60.32 -40.1 89.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.84 -42.25 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.499 -0.75 . . . . 0.0 109.704 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -63.08 -39.07 93.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.443 -0.786 . . . . 0.0 109.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.5 88.79 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 110.07 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -59.47 -46.33 89.09 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.26 -37.88 86.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.73 -0.606 . . . . 0.0 109.419 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.68 -47.61 81.85 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.671 -0.643 . . . . 0.0 109.942 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -63.02 -41.36 99.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.611 -0.681 . . . . 0.0 110.111 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 23' ' ' LEU . . . . . 0.403 ' O ' HG12 ' X' ' 27' ' ' ILE . 3.7 tt -58.06 -45.38 87.15 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.587 -0.696 . . . . 0.0 109.629 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -65.17 -39.51 93.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.695 -0.628 . . . . 0.0 110.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.88 -37.64 77.03 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.457 -0.777 . . . . 0.0 109.927 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.57 -30.76 67.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.403 HG12 ' O ' ' X' ' 23' ' ' LEU . 31.9 mm -80.47 -40.94 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.372 -0.83 . . . . 0.0 110.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.448 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.444 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.957 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.28 91.85 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.621 -0.674 . . . . 0.0 110.22 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.47 97.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.969 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -62.42 -35.84 80.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.429 -0.794 . . . . 0.0 109.565 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' X' ' 10' ' ' ILE . 93.9 t -63.0 -40.04 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.5 m -66.2 -37.34 85.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.572 -0.705 . . . . 0.0 109.641 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.751 -0.593 . . . . 0.0 110.355 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.7 mt -59.35 -40.75 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.81 -40.47 95.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.669 -0.644 . . . . 0.0 109.779 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -68.56 -41.58 79.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -61.83 -34.43 75.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.589 -0.695 . . . . 0.0 110.125 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.23 82.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.555 -0.716 . . . . 0.0 109.694 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -60.02 -42.37 94.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.567 -0.708 . . . . 0.0 109.48 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.17 -43.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.663 -0.648 . . . . 0.0 109.672 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.5 m -60.9 -40.72 94.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.537 -0.727 . . . . 0.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.22 94.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.45 -0.782 . . . . 0.0 110.226 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -60.1 -40.92 91.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.76 -39.94 91.54 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.603 . . . . 0.0 109.689 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -44.34 97.4 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.57 -0.706 . . . . 0.0 109.654 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -42.12 97.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.649 -0.657 . . . . 0.0 110.003 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.79 -44.65 96.55 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.636 -0.665 . . . . 0.0 109.821 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -65.16 -38.64 91.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.594 -0.691 . . . . 0.0 109.88 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.34 -36.15 81.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.634 -0.666 . . . . 0.0 109.962 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -30.33 67.77 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.404 -0.81 . . . . 0.0 109.989 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -83.5 -37.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.421 -0.8 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.361 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.484 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.054 0 CA-C-O 120.922 0.391 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.36 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.508 -0.745 . . . . 0.0 110.267 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.82 98.63 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.468 -0.77 . . . . 0.0 110.197 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.76 -35.53 80.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.308 -0.87 . . . . 0.0 109.329 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' X' ' 10' ' ' ILE . 90.4 t -64.04 -39.54 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 64.4 m -66.89 -36.56 82.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.535 -0.728 . . . . 0.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.71 -0.619 . . . . 0.0 109.983 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' X' ' 7' ' ' VAL . 67.6 mt -58.27 -41.32 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -38.53 89.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.862 -0.524 . . . . 0.0 110.381 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -57.89 -41.36 82.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.681 -0.637 . . . . 0.0 110.234 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -70.31 -34.9 73.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.283 -0.885 . . . . 0.0 109.607 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.03 -44.05 90.41 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.644 -0.66 . . . . 0.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.5 p -65.54 -40.3 92.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -0.777 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.84 -45.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.429 -0.794 . . . . 0.0 109.676 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 93.0 m -65.11 -44.58 88.28 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.483 -0.761 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -64.19 -39.02 93.1 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -0.81 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.57 -40.93 80.08 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.8 mm? -65.63 -41.44 92.66 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.602 -0.686 . . . . 0.0 109.537 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.28 -41.55 80.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.444 -0.785 . . . . 0.0 109.647 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.57 85.42 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.697 -0.627 . . . . 0.0 110.115 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.31 -39.27 78.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -64.52 -42.33 95.83 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 110.161 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.25 -40.47 97.5 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.5 -0.75 . . . . 0.0 110.02 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -67.11 -27.12 67.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.552 -0.718 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.57 -40.79 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.412 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.475 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 120.983 0.421 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.32 93.91 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.552 -0.717 . . . . 0.0 110.152 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.27 90.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.421 -0.799 . . . . 0.0 110.004 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -36.17 82.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.379 -0.825 . . . . 0.0 109.35 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.475 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.5 t -63.66 -39.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 58.9 m -67.18 -36.91 82.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.524 -0.735 . . . . 0.0 109.859 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.7 88.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.1 mm -60.97 -39.1 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -38.11 89.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.703 -0.623 . . . . 0.0 109.831 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.491 ' O ' HG22 ' X' ' 15' ' ' THR . 1.6 t -63.56 -44.66 93.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.834 -0.541 . . . . 0.0 110.564 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.2 p -72.87 -33.37 66.03 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.133 -0.979 . . . . 0.0 110.394 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.43 -46.01 88.31 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.4 -0.812 . . . . 0.0 110.792 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 15' ' ' THR . . . . . 0.491 HG22 ' O ' ' X' ' 12' ' ' SER . 9.9 t -67.82 -36.25 80.07 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.439 -0.788 . . . . 0.0 110.697 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.95 -45.69 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.263 -0.898 . . . . 0.0 110.144 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 19.2 m -64.52 -40.15 95.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.374 -0.829 . . . . 0.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.29 -42.81 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.347 -0.845 . . . . 0.0 110.194 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.85 -41.6 78.22 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -39.92 89.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.724 -0.61 . . . . 0.0 109.723 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -43.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -60.7 -47.73 84.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.605 -0.684 . . . . 0.0 109.42 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 23' ' ' LEU . . . . . 0.437 ' O ' HG12 ' X' ' 27' ' ' ILE . 1.1 tt -59.82 -40.33 88.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 122.009 -0.432 . . . . 0.0 110.086 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -43.49 98.77 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.575 -0.703 . . . . 0.0 109.944 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -60.2 -34.9 74.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 109.608 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -67.33 -27.29 67.02 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.513 -0.742 . . . . 0.0 110.067 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.437 HG12 ' O ' ' X' ' 23' ' ' LEU . 41.2 mm -83.83 -42.92 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.431 -0.793 . . . . 0.0 110.171 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 117.699 -1.143 . . . . 0.0 110.823 -179.769 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 120.989 0.424 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.2 96.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.579 -0.7 . . . . 0.0 109.778 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.64 78.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.478 -0.764 . . . . 0.0 109.695 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -65.0 -36.98 86.15 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.451 -0.781 . . . . 0.0 109.103 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' X' ' 10' ' ' ILE . 94.2 t -63.36 -39.11 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -67.78 -37.92 82.69 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.611 -0.681 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.45 98.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.688 -0.632 . . . . 0.0 110.295 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.41 -39.95 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.79 -38.69 92.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.76 -0.588 . . . . 0.0 110.127 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -59.55 -43.78 93.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.791 -0.568 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -73.52 -34.49 65.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 109.978 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -43.8 94.13 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.505 -0.747 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.334 -0.854 . . . . 0.0 109.865 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.13 -42.17 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 0.0 109.372 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 9.7 m -65.23 -39.57 92.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.54 -0.725 . . . . 0.0 109.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -38.48 91.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.408 -0.807 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.25 -41.17 88.16 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -39.41 93.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.678 -0.639 . . . . 0.0 109.538 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -60.04 -46.16 90.44 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.522 -0.736 . . . . 0.0 109.605 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -59.96 -40.79 90.26 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.73 -0.607 . . . . 0.0 110.005 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.76 -43.0 99.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.639 -0.663 . . . . 0.0 109.83 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.67 -39.57 94.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.502 -0.749 . . . . 0.0 109.961 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.99 -36.12 82.43 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.0 110.115 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -65.36 -33.66 76.48 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.509 -0.745 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -79.34 -29.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.44 -0.787 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.56 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.427 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.981 0 CA-C-O 120.963 0.411 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.61 95.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.22 99.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.365 -0.834 . . . . 0.0 110.036 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -36.04 78.95 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.491 -0.756 . . . . 0.0 109.629 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' X' ' 10' ' ' ILE . 83.9 t -63.36 -39.22 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 30.8 m -67.83 -36.93 81.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.525 -0.734 . . . . 0.0 109.803 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.5 94.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 0.0 110.12 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.6 mt -57.99 -41.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.66 -40.54 88.67 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.29 0.567 . . . . 0.0 109.951 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 20.7 m -60.56 -43.44 97.26 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.785 -0.572 . . . . 0.0 109.839 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 71.6 m -61.74 -39.28 91.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.575 -0.703 . . . . 0.0 109.317 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -42.87 99.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.688 . . . . 0.0 109.438 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 90.9 m -53.66 -42.4 67.85 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.655 -0.653 . . . . 0.0 109.791 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 16' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' X' ' 19' ' ' LEU . 97.4 t -65.47 -44.36 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.567 -0.708 . . . . 0.0 109.468 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -66.18 -39.34 89.65 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.528 -0.733 . . . . 0.0 109.684 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -41.08 81.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.645 -0.659 . . . . 0.0 110.024 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.4 mt -58.92 -47.39 85.19 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -38.49 88.49 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -57.99 -40.44 80.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.662 -0.649 . . . . 0.0 110.099 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -65.9 -45.49 81.78 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.553 -0.717 . . . . 0.0 109.619 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -57.99 -42.44 85.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.72 -0.612 . . . . 0.0 109.837 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -65.27 -39.42 92.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.042 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.43 -36.42 78.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 109.946 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -70.01 -33.21 71.72 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.642 -0.662 . . . . 0.0 109.929 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' X' ' 28' ' ' SER . 72.4 mt -76.06 -31.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.387 -0.821 . . . . 0.0 110.614 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 28' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' X' ' 27' ' ' ILE . 58.3 m . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.605 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.472 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.46 98.63 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.442 -0.786 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.36 90.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.497 -0.752 . . . . 0.0 110.031 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -62.96 -36.56 83.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.393 -0.817 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.472 HG23 ' O ' ' X' ' 3' ' ' ALA . 76.8 t -62.99 -39.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -65.35 -36.89 85.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.589 -0.694 . . . . 0.0 109.567 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.1 95.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.73 -0.606 . . . . 0.0 110.07 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.34 -39.72 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' X' ' 14' ' ' LEU . 13.7 tp -64.22 -40.11 95.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.656 -0.653 . . . . 0.0 109.325 178.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.1 m -68.57 -40.81 80.43 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -58.41 -36.02 72.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.744 -0.597 . . . . 0.0 109.974 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' X' ' 11' ' ' LEU . 2.4 mt -59.38 -43.99 92.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.495 -0.753 . . . . 0.0 109.698 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -60.81 -41.02 94.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.678 -0.639 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.86 -43.38 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 0.0 109.703 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.53 -44.53 95.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.537 -0.727 . . . . 0.0 109.738 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.63 -40.37 83.18 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.891 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.4 OUTLIER -55.29 -41.66 72.6 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -39.59 91.81 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.728 -0.608 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -48.28 81.96 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.469 -0.77 . . . . 0.0 110.032 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -39.21 93.79 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 110.158 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 23' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' X' ' 23' ' ' LEU . 0.1 OUTLIER -60.12 -41.85 93.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.429 -0.794 . . . . 0.0 109.745 179.24 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.48 -38.94 91.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.608 -0.683 . . . . 0.0 109.827 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.7 -38.14 89.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.645 -0.659 . . . . 0.0 109.981 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -33.71 71.79 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.471 -0.768 . . . . 0.0 110.796 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -83.78 -50.23 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.33 -0.856 . . . . 0.0 110.175 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.881 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.001 0 CA-C-O 120.96 0.41 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.69 88.52 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.691 -0.63 . . . . 0.0 109.974 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.98 87.99 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.491 -0.755 . . . . 0.0 109.737 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.82 -37.61 87.45 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.6 t -62.07 -40.05 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -67.33 -36.36 81.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.12 94.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.621 -0.675 . . . . 0.0 110.225 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' X' ' 7' ' ' VAL . 52.5 mt -59.26 -41.18 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -65.78 -39.44 91.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.773 -0.58 . . . . 0.0 109.684 178.592 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -59.27 -37.38 77.49 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.864 -0.523 . . . . 0.0 109.846 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -61.04 -44.7 97.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.655 -0.653 . . . . 0.0 109.606 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -42.26 99.51 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.667 -0.646 . . . . 0.0 109.75 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -56.45 -41.72 76.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.648 -0.658 . . . . 0.0 109.724 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -62.84 -42.26 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.51 -0.744 . . . . 0.0 109.764 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -61.27 -38.98 88.69 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.425 -0.797 . . . . 0.0 109.573 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -39.92 95.75 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.118 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.18 -41.79 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.83 -39.56 90.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.713 -0.617 . . . . 0.0 109.994 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -44.7 94.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.407 -0.808 . . . . 0.0 110.063 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -42.42 79.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.582 -0.699 . . . . 0.0 110.123 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.08 -35.17 66.69 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 110.655 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -56.16 -39.91 73.07 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 0.0 110.017 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 -37.72 78.23 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.666 -0.646 . . . . 0.0 110.196 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -32.29 73.94 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.495 -0.753 . . . . 0.0 110.317 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -76.85 -34.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.255 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.401 179.959 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.463 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 120.86 0.362 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.98 99.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 110.29 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.76 88.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -62.81 -35.15 78.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.337 -0.852 . . . . 0.0 109.31 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.463 HG23 ' O ' ' X' ' 3' ' ' ALA . 73.7 t -62.28 -40.11 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.104 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 17.1 m -67.34 -36.81 82.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.703 -0.623 . . . . 0.0 109.887 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.71 89.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.728 -0.608 . . . . 0.0 110.118 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.5 mt -58.95 -42.38 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.705 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.37 -41.46 85.02 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.478 0.656 . . . . 0.0 109.571 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.465 ' O ' HG23 ' X' ' 16' ' ' VAL . 29.1 m -63.34 -41.43 98.86 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.877 -0.515 . . . . 0.0 110.039 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -67.69 -33.53 75.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.4 -0.813 . . . . 0.0 109.989 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -48.91 73.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.579 -0.701 . . . . 0.0 110.101 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -58.78 -39.32 80.68 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.504 -0.748 . . . . 0.0 109.884 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 16' ' ' VAL . . . . . 0.465 HG23 ' O ' ' X' ' 12' ' ' SER . 86.5 t -61.41 -42.26 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 178.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -64.91 -40.03 94.44 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 109.673 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.44 -44.1 96.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.581 -0.7 . . . . 0.0 110.324 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -41.93 82.48 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.028 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -39.22 90.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.667 -0.646 . . . . 0.0 109.836 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -42.89 99.46 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.436 -0.79 . . . . 0.0 110.031 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -63.09 -41.92 99.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.843 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.4 -38.26 88.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.527 -0.733 . . . . 0.0 109.998 179.352 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' X' X ' 24' ' ' HIS . . . . . 0.569 ' O ' HG22 ' X' ' 27' ' ' ILE . 3.8 t-80 -65.65 -39.71 91.68 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.573 -0.705 . . . . 0.0 110.37 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -35.18 75.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -28.23 64.57 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.533 -0.729 . . . . 0.0 110.847 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' X' X ' 27' ' ' ILE . . . . . 0.569 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.1 OUTLIER -73.48 -30.1 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.319 -0.863 . . . . 0.0 110.577 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.989 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.483 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 120.853 0.358 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.8 90.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.505 -0.747 . . . . 0.0 110.343 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.63 99.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -35.75 78.91 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.335 -0.853 . . . . 0.0 109.398 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.483 HG23 ' O ' ' X' ' 3' ' ' ALA . 98.9 t -62.54 -39.15 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.326 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -65.84 -37.54 86.48 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.585 -0.697 . . . . 0.0 109.798 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.53 88.15 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.506 HG22 HD12 ' X' ' 14' ' ' LEU . 18.5 mm -59.63 -39.17 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' X' ' 15' ' ' THR . 43.6 tp -64.38 -38.72 92.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.576 -0.703 . . . . 0.0 109.774 178.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -60.14 -45.97 91.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.726 -0.609 . . . . 0.0 110.041 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -74.7 -32.89 62.31 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.222 -0.924 . . . . 0.0 110.017 179.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.506 HD12 HG22 ' X' ' 10' ' ' ILE . 3.7 mt -58.99 -41.94 88.83 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.527 -0.733 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 15' ' ' THR . . . . . 0.468 HG23 ' O ' ' X' ' 11' ' ' LEU . 75.6 p -60.32 -41.46 93.56 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.371 -0.831 . . . . 0.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.02 -42.2 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.611 -0.681 . . . . 0.0 109.384 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -63.08 -40.02 96.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.593 -0.692 . . . . 0.0 109.718 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -39.63 90.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.695 . . . . 0.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.51 -44.02 89.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -40.27 87.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.8 -0.563 . . . . 0.0 109.56 178.53 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.45 94.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.61 -0.681 . . . . 0.0 110.01 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.6 98.47 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.551 -0.718 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -40.69 89.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.672 -0.643 . . . . 0.0 109.909 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -64.22 -41.51 97.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.602 -0.686 . . . . 0.0 109.96 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -61.55 -34.82 76.22 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 0.0 110.021 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -32.53 72.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.519 -0.738 . . . . 0.0 109.873 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mt -83.7 -46.01 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.0 110.052 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.314 -179.914 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.437 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.978 0.418 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.638 -0.664 . . . . 0.0 110.094 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.18 96.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.828 . . . . 0.0 109.941 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.68 -36.2 80.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.423 -0.798 . . . . 0.0 109.391 178.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' X' ' 10' ' ' ILE . 99.0 t -63.7 -39.9 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.329 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -66.46 -36.98 84.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.509 -0.744 . . . . 0.0 109.727 178.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.34 96.65 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.624 -0.672 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.03 -41.23 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.693 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.73 -38.17 88.43 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.76 -0.587 . . . . 0.0 109.973 178.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -61.73 -33.11 73.46 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.849 -0.532 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -37.61 78.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.291 -0.88 . . . . 0.0 109.374 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -47.14 74.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.637 -0.664 . . . . 0.0 110.476 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -58.01 -39.11 77.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.405 -0.809 . . . . 0.0 110.019 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.76 -42.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.5 m -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.457 -0.777 . . . . 0.0 109.489 179.058 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -39.54 93.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 109.775 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.528 ' HA ' ' HD3' ' X' ' 22' ' ' ARG . 7.9 mt -57.85 -37.95 74.79 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -40.34 95.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.568 -0.708 . . . . 0.0 109.094 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -63.85 -37.46 87.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.573 -0.705 . . . . 0.0 109.628 178.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 22' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' X' ' 19' ' ' LEU . 22.3 mtp180 -60.58 -48.49 81.53 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.455 -0.778 . . . . 0.0 109.595 179.194 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.17 90.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.635 -0.666 . . . . 0.0 109.673 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -63.72 -45.06 91.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 0.0 109.862 179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.13 -39.99 88.19 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.695 -0.628 . . . . 0.0 109.984 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -58.3 -36.75 73.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.507 -0.746 . . . . 0.0 109.917 179.253 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.28 -45.61 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.0 109.681 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.229 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.857 0.36 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.39 98.24 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.27 -0.894 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.85 91.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.446 -0.784 . . . . 0.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -62.07 -36.24 81.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.349 -0.844 . . . . 0.0 109.626 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' X' ' 10' ' ' ILE . 74.1 t -63.85 -40.13 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 178.197 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -70.68 -36.07 73.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 109.906 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.87 92.0 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.709 -0.619 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.8 mt -57.36 -41.69 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.287 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -38.15 86.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.592 -0.692 . . . . 0.0 110.023 179.014 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 70.8 m -64.71 -46.6 81.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.714 -0.616 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.2 p -64.86 -34.35 78.18 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.58 -46.75 86.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.347 -0.846 . . . . 0.0 110.095 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -37.11 80.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.526 -0.734 . . . . 0.0 110.206 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.76 -46.26 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -63.25 -41.14 99.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.277 -0.889 . . . . 0.0 110.301 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.84 -39.38 94.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.293 -0.879 . . . . 0.0 110.149 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.99 -39.2 94.03 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.9 mm? -66.01 -39.53 90.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.791 -0.568 . . . . 0.0 109.968 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.39 -44.67 95.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.368 -0.833 . . . . 0.0 109.784 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -42.76 88.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.622 -0.674 . . . . 0.0 110.023 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tp -68.81 -35.53 77.11 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.788 . . . . 0.0 110.46 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -40.0 74.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.29 -0.881 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.53 -43.26 99.19 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.356 -0.84 . . . . 0.0 109.202 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -70.59 -31.73 68.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.624 -0.673 . . . . 0.0 109.863 178.773 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 mm -74.67 -52.8 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.154 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.925 -179.816 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.455 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.05 77.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.502 -0.749 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.6 98.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.398 -0.814 . . . . 0.0 110.106 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.89 -35.59 78.8 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.408 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' X' ' 3' ' ' ALA . 67.7 t -63.05 -39.78 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.291 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -64.84 -37.91 89.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.575 -0.703 . . . . 0.0 109.723 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.44 89.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.735 -0.603 . . . . 0.0 110.24 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.69 -40.98 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -39.8 94.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 178.67 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -59.71 -37.69 79.56 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.777 -0.577 . . . . 0.0 109.64 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.09 -41.78 98.54 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.611 -0.681 . . . . 0.0 109.275 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.88 92.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.727 -0.608 . . . . 0.0 109.755 179.151 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 31.4 m -59.79 -42.3 93.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.52 -0.737 . . . . 0.0 109.545 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.45 -42.21 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.072 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -63.98 -38.79 92.36 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.578 -0.701 . . . . 0.0 110.016 179.118 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -40.98 96.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.41 77.7 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.715 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -40.11 91.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.643 -0.66 . . . . 0.0 109.574 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -60.35 -44.36 95.63 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.415 -0.803 . . . . 0.0 109.642 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -39.85 91.37 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 109.777 179.026 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.24 -43.23 92.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.568 -0.707 . . . . 0.0 109.809 179.25 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -65.82 -39.13 90.56 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.91 -35.76 79.33 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.443 -0.786 . . . . 0.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -69.85 -34.45 73.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.312 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mt -78.95 -49.26 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.531 -0.73 . . . . 0.0 110.081 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.537 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.57 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.061 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.49 81.24 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.475 -0.765 . . . . 0.0 110.269 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.6 87.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.818 . . . . 0.0 109.943 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -36.53 80.5 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.51 -0.744 . . . . 0.0 109.444 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.1 t -63.88 -39.94 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.241 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -67.05 -36.3 81.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.529 -0.732 . . . . 0.0 109.683 178.783 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.95 92.86 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.703 -0.623 . . . . 0.0 110.142 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' X' ' 7' ' ' VAL . 61.1 mt -60.08 -41.09 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -40.76 87.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.824 -0.548 . . . . 0.0 109.855 178.754 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.5 m -58.93 -42.7 90.33 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.815 -0.553 . . . . 0.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -62.69 -40.77 98.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.686 -0.634 . . . . 0.0 109.694 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.28 -42.79 99.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.659 -0.65 . . . . 0.0 109.695 179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 60.1 m -55.94 -42.12 75.69 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.643 -0.661 . . . . 0.0 109.746 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 16' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' X' ' 19' ' ' LEU . 91.8 t -64.48 -43.85 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.651 -0.655 . . . . 0.0 109.567 179.157 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -59.97 -39.49 85.83 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.533 -0.73 . . . . 0.0 109.947 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.76 -40.98 97.03 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.127 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.3 mt -56.37 -42.12 77.32 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 20' ' ' LEU . . . . . 0.516 HD12 ' O ' ' X' ' 16' ' ' VAL . 1.0 OUTLIER -65.84 -40.42 91.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.686 -0.634 . . . . 0.0 109.733 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -61.89 -44.35 96.98 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.418 -0.801 . . . . 0.0 110.085 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -39.59 86.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.625 -0.672 . . . . 0.0 109.889 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.03 -42.76 95.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.49 -0.756 . . . . 0.0 109.482 178.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -65.53 -40.41 92.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 109.399 178.816 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.72 -33.33 73.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.677 -0.639 . . . . 0.0 109.974 179.079 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -69.55 -32.75 71.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.496 -0.752 . . . . 0.0 110.108 179.399 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.0 mt -81.32 -45.4 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.44 -0.787 . . . . 0.0 110.596 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.695 -179.632 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 120.98 0.419 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.74 92.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.91 96.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.321 -0.862 . . . . 0.0 109.847 179.391 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -60.76 -36.34 78.68 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.459 -0.776 . . . . 0.0 109.489 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 7' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.9 t -63.3 -39.57 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.341 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -68.45 -36.45 79.03 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.584 -0.698 . . . . 0.0 109.743 178.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.13 88.99 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.77 -0.581 . . . . 0.0 110.25 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' X' ' 7' ' ' VAL . 50.9 mt -60.66 -40.82 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.306 0.574 . . . . 0.0 109.914 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -60.52 -45.7 92.87 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.774 -0.579 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 52.7 p -64.23 -35.12 79.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.447 -0.783 . . . . 0.0 109.837 179.352 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.518 -0.739 . . . . 0.0 109.686 179.209 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.7 m -57.6 -42.14 82.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.652 -0.655 . . . . 0.0 109.556 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.79 -43.15 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.581 -0.699 . . . . 0.0 109.613 179.196 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.85 -39.34 88.76 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -39.63 93.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.463 -0.773 . . . . 0.0 109.879 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.62 -45.11 89.91 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.73 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.17 -39.7 89.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.737 -0.602 . . . . 0.0 109.664 178.71 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' X' ' 21' ' ' ARG . 9.3 mmm-85 -61.11 -38.26 85.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.612 -0.68 . . . . 0.0 109.863 179.509 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.19 -43.06 99.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.52 -0.738 . . . . 0.0 109.405 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.42 -41.44 93.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.591 . . . . 0.0 109.425 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -64.23 -41.53 96.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.626 -0.671 . . . . 0.0 110.01 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -37.5 77.84 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.816 179.293 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.32 -34.49 77.8 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.545 -0.722 . . . . 0.0 109.808 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 19.2 mt -83.08 -42.47 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.552 -0.717 . . . . 0.0 109.559 179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.76 -1.114 . . . . 0.0 110.135 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 121.131 0.491 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.37 -31.5 7.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.31 -50.67 73.1 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.276 -0.89 . . . . 0.0 110.282 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.25 96.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.805 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.74 90.53 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.538 -0.726 . . . . 0.0 109.718 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -62.08 -36.43 81.65 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.526 -0.734 . . . . 0.0 109.537 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.476 HG23 ' O ' ' X' ' 3' ' ' ALA . 83.0 t -63.72 -39.81 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -68.25 -36.59 79.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.595 -0.691 . . . . 0.0 109.711 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.54 94.23 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.783 -0.573 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' X' ' 7' ' ' VAL . 53.0 mt -56.97 -42.04 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.64 -39.67 88.38 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.764 -0.585 . . . . 0.0 110.192 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -59.61 -44.39 93.43 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.67 -0.644 . . . . 0.0 110.257 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 45.5 m -62.83 -39.07 93.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.611 -0.681 . . . . 0.0 109.903 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -42.26 94.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.673 -0.642 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -57.58 -42.51 83.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.91 -42.89 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.668 -0.645 . . . . 0.0 109.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.3 m -60.15 -39.47 86.45 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.495 -0.753 . . . . 0.0 110.121 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.15 -46.02 85.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.525 -0.734 . . . . 0.0 110.276 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -38.71 72.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.45 -40.22 89.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.7 -0.625 . . . . 0.0 109.811 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -62.02 -41.2 97.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.522 -0.737 . . . . 0.0 109.996 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.19 95.94 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.61 -0.681 . . . . 0.0 109.767 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.83 -45.74 92.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -65.04 -39.37 93.23 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.673 . . . . 0.0 109.888 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.75 -36.6 74.6 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.528 -0.733 . . . . 0.0 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -72.47 -37.56 68.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.506 -0.746 . . . . 0.0 110.054 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.48 -43.91 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.513 -0.742 . . . . 0.0 110.374 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.461 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 53.84 80.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.36 0.6 . . . . 0.0 110.8 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -65.91 -44.61 84.7 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.455 -0.778 . . . . 0.0 110.492 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.96 97.52 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 0.0 110.017 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.82 85.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 109.802 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -36.78 82.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 109.346 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.462 HG23 ' O ' ' X' ' 3' ' ' ALA . 92.1 t -63.3 -39.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.1 -36.49 82.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.646 -0.659 . . . . 0.0 109.919 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.78 94.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.68 -0.638 . . . . 0.0 110.169 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' X' ' 10' ' ' ILE . 22.3 mm -58.57 -41.4 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -37.76 86.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.794 -0.567 . . . . 0.0 110.231 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -45.67 90.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.681 -0.637 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -64.39 -37.64 88.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.467 -0.771 . . . . 0.0 109.455 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.07 -36.66 82.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.67 -0.644 . . . . 0.0 109.851 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -59.07 -43.62 91.78 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.593 -0.692 . . . . 0.0 109.519 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.85 -47.94 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.625 -0.672 . . . . 0.0 109.225 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -62.35 -39.06 91.9 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.666 -0.647 . . . . 0.0 109.739 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -63.67 -44.32 94.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.412 -0.805 . . . . 0.0 109.966 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.68 -37.58 65.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.8 -43.28 84.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.496 -0.752 . . . . 0.0 109.765 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -39.3 80.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.378 -0.826 . . . . 0.0 109.985 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.68 95.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.543 -0.723 . . . . 0.0 109.815 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.84 -40.54 83.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.456 -0.777 . . . . 0.0 109.987 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -62.88 -39.98 96.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.553 -0.717 . . . . 0.0 110.3 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -37.35 84.84 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.762 . . . . 0.0 109.981 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -70.25 -29.92 66.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.448 -0.782 . . . . 0.0 110.183 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -83.83 -52.02 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.366 -0.834 . . . . 0.0 110.027 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.823 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.747 0.308 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.22 -42.8 87.06 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.54 -0.725 . . . . 0.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.536 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.54 -42.12 91.61 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.39 -0.819 . . . . 0.0 110.135 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.0 92.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.456 -0.777 . . . . 0.0 110.099 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.7 98.45 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.49 -0.756 . . . . 0.0 110.388 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' X' ' 7' ' ' VAL . 0.0 OUTLIER -63.28 -33.22 75.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 179.25 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.536 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.6 t -64.45 -39.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -65.2 -37.34 87.01 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.596 -0.69 . . . . 0.0 109.557 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.63 85.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.731 -0.606 . . . . 0.0 110.24 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' X' ' 10' ' ' ILE . 17.9 mm -60.09 -40.2 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.42 -40.65 93.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.752 -0.592 . . . . 0.0 109.69 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m -69.17 -43.51 74.11 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.789 -0.57 . . . . 0.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.1 m -61.33 -34.9 76.03 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.63 -0.668 . . . . 0.0 110.222 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -35.92 73.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.627 -0.671 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -60.54 -45.23 94.62 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.459 -0.776 . . . . 0.0 109.97 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.2 -42.16 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.533 -0.729 . . . . 0.0 109.679 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -60.23 -39.9 88.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -0.816 . . . . 0.0 110.108 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -41.89 99.43 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.467 -0.771 . . . . 0.0 109.992 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.72 -42.42 93.03 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.54 -39.39 91.7 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -59.78 -37.64 79.63 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.544 -0.723 . . . . 0.0 109.706 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -45.8 91.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.595 -0.691 . . . . 0.0 109.411 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.61 -46.05 87.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.738 -0.601 . . . . 0.0 109.695 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -65.3 -40.51 93.89 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.597 -0.689 . . . . 0.0 109.7 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.77 -35.06 73.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.621 -0.674 . . . . 0.0 109.792 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -69.68 -33.49 72.63 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.516 -0.74 . . . . 0.0 109.585 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mm -75.7 -39.32 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.544 -0.722 . . . . 0.0 109.961 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.339 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 121.135 0.493 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' ASP . . . . . 0.718 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 4.3 m-20 -134.89 77.57 1.69 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.462 -0.774 . . . . 0.0 110.295 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -67.11 -48.11 69.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.269 -0.894 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.4 96.35 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.506 -0.747 . . . . 0.0 110.415 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -64.78 -38.3 90.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.423 -0.798 . . . . 0.0 110.053 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' X' ' 6' ' ' ARG . 10.9 mmp_? -63.66 -35.7 81.42 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.218 -0.926 . . . . 0.0 109.378 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' X' ' 10' ' ' ILE . 91.8 t -63.09 -38.92 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -68.48 -36.47 78.99 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 109.559 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.69 88.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.792 -0.568 . . . . 0.0 110.336 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' X' ' 7' ' ' VAL . 41.7 mt -61.24 -41.34 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -39.95 90.42 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.17 0.509 . . . . 0.0 110.076 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.8 t -61.08 -44.28 97.6 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.729 -0.607 . . . . 0.0 110.092 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -62.92 -39.66 95.24 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.519 -0.738 . . . . 0.0 109.839 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -41.71 97.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.609 -0.682 . . . . 0.0 110.048 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -61.6 -41.44 97.44 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.575 -0.703 . . . . 0.0 109.987 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.03 -43.93 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.498 -0.751 . . . . 0.0 109.885 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -62.12 -40.57 96.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.506 -0.746 . . . . 0.0 110.163 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.59 -47.27 82.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.436 -0.79 . . . . 0.0 110.081 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' X' ' 19' ' ' LEU . 2.0 mm? -54.12 -39.78 66.73 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -40.7 94.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.825 -0.547 . . . . 0.0 109.672 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.65 -42.7 99.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.538 -0.726 . . . . 0.0 109.837 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -44.36 97.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.717 -0.614 . . . . 0.0 110.025 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.79 -42.27 88.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.84 -0.537 . . . . 0.0 110.091 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -63.33 -38.92 93.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.511 -0.743 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -34.52 78.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.51 -0.744 . . . . 0.0 110.067 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -69.29 -33.16 72.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.497 -0.752 . . . . 0.0 110.063 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.39 -40.26 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 0.0 109.885 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.132 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.653 0.263 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 t0 56.74 53.54 8.21 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.43 0.633 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.428 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -65.67 -29.73 70.33 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.439 -0.788 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.16 78.92 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.354 -0.841 . . . . 0.0 110.699 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.57 90.87 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.318 -0.864 . . . . 0.0 109.901 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.23 82.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.368 -0.833 . . . . 0.0 109.35 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.0 t -62.8 -39.37 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -67.21 -37.27 83.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.517 -0.739 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.97 92.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.685 -0.634 . . . . 0.0 110.228 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.1 mt -59.48 -40.93 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.97 -38.85 86.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.66 -0.65 . . . . 0.0 110.241 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.1 t -58.65 -45.58 89.01 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.835 -0.54 . . . . 0.0 110.703 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -68.89 -36.52 78.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.476 -0.765 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.27 -46.4 88.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.434 -0.791 . . . . 0.0 110.151 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 28.2 m -63.0 -40.4 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.459 -0.776 . . . . 0.0 109.945 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.06 -42.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.398 -0.813 . . . . 0.0 109.329 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -69.05 -42.38 76.37 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.486 -0.759 . . . . 0.0 109.718 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -41.28 99.22 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.552 -0.717 . . . . 0.0 110.263 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.76 -40.14 87.18 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.37 -39.69 85.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 110.188 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -62.11 -44.72 96.04 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.454 -0.779 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -60.89 -46.99 88.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.644 -0.66 . . . . 0.0 109.883 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.4 -38.85 88.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.56 -41.42 85.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.551 -0.718 . . . . 0.0 110.178 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.95 -38.19 79.28 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 0.0 109.894 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -62.05 -32.03 72.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.48 -0.763 . . . . 0.0 110.11 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -78.86 -31.5 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.433 -0.792 . . . . 0.0 110.113 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.441 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.13 0.491 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -107.02 -42.42 4.9 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.476 -0.765 . . . . 0.0 110.783 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' HD2' ' X' ' 6' ' ' ARG . . . -64.57 -39.04 93.03 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.283 -0.886 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.97 73.79 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.649 -0.657 . . . . 0.0 110.429 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.77 80.09 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.391 -0.818 . . . . 0.0 110.056 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' HA ' ' X' ' 3' ' ' ALA . 7.2 mtt180 -62.1 -37.85 86.64 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.339 -0.851 . . . . 0.0 109.305 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.11 -40.08 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.651 -0.656 . . . . 0.0 109.932 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.79 93.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.73 -0.606 . . . . 0.0 110.263 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.86 -40.01 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.34 -39.69 92.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.699 -0.626 . . . . 0.0 109.495 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -33.2 69.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.879 -0.513 . . . . 0.0 109.87 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -62.88 -39.93 95.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.11 -44.23 80.48 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.737 -0.602 . . . . 0.0 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -66.85 -40.13 87.8 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.412 -0.805 . . . . 0.0 109.974 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.74 -41.7 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.431 -0.793 . . . . 0.0 109.398 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 56.1 m -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.427 -0.796 . . . . 0.0 109.499 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.19 93.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 109.733 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.22 -39.67 79.68 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.94 -40.77 95.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.638 -0.664 . . . . 0.0 109.7 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.93 -43.27 91.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.53 -0.731 . . . . 0.0 109.854 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.65 -40.47 92.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.57 -0.706 . . . . 0.0 109.773 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.57 -39.38 83.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.743 . . . . 0.0 109.807 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 24' ' ' HIS . . . . . 0.715 ' HA ' HD12 ' X' ' 27' ' ' ILE . 0.3 OUTLIER -64.95 -39.9 94.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.674 -0.641 . . . . 0.0 109.538 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.37 79.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.659 . . . . 0.0 109.776 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -26.8 68.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.461 -0.775 . . . . 0.0 110.208 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' X' ' 24' ' ' HIS . 26.0 mt -82.21 -33.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.311 -0.868 . . . . 0.0 110.02 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.403 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.207 0.527 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -152.21 -176.4 5.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.476 -0.765 . . . . 0.0 110.324 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.46 -45.86 90.4 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.557 -0.714 . . . . 0.0 111.009 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.38 90.46 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.481 -0.762 . . . . 0.0 110.399 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.7 92.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 109.641 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.76 -35.99 81.61 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.423 -0.798 . . . . 0.0 109.165 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.8 t -63.91 -39.66 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -66.84 -36.89 83.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.539 -0.725 . . . . 0.0 109.732 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.82 95.61 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.796 -0.565 . . . . 0.0 110.111 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.4 mt -59.47 -40.3 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.52 -39.61 94.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.687 -0.633 . . . . 0.0 109.978 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -61.56 -42.5 98.93 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -67.43 -35.61 79.58 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.501 -0.749 . . . . 0.0 109.913 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -41.27 93.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.553 -0.717 . . . . 0.0 110.56 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -38.56 91.63 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.366 -0.834 . . . . 0.0 109.98 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.55 -42.14 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.331 -0.856 . . . . 0.0 109.482 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -64.48 -41.52 96.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.488 -0.757 . . . . 0.0 109.911 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.44 -41.06 96.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.359 -0.838 . . . . 0.0 110.497 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.44 -40.72 83.36 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' LEU . . . . . 0.896 ' HA ' HD23 ' X' ' 23' ' ' LEU . 6.8 tp -66.16 -39.96 90.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.713 -0.617 . . . . 0.0 109.855 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -65.53 -38.04 88.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.345 -0.847 . . . . 0.0 109.586 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -62.76 -46.32 88.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.657 -0.652 . . . . 0.0 110.23 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' X' ' 20' ' ' LEU . 0.3 OUTLIER -61.25 -34.78 75.7 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.633 -0.667 . . . . 0.0 109.937 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 24' ' ' HIS . . . . . 0.565 ' N ' ' HG ' ' X' ' 23' ' ' LEU . 4.8 t-80 -66.35 -39.69 89.33 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.259 -0.901 . . . . 0.0 109.556 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -33.77 76.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.676 . . . . 0.0 109.97 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -62.16 -38.74 90.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.469 -0.769 . . . . 0.0 109.733 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.663 HD12 ' O ' ' X' ' 23' ' ' LEU . 1.6 mp -84.65 -45.89 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.535 -0.728 . . . . 0.0 109.993 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.501 2.107 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.79 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.973 0.416 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 0.2 OUTLIER 55.85 82.28 0.11 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.346 0.593 . . . . 0.0 110.849 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.494 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -60.41 -38.63 84.63 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.51 -0.744 . . . . 0.0 110.444 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.75 99.67 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.549 -0.719 . . . . 0.0 109.977 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -63.62 -37.15 86.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.524 -0.735 . . . . 0.0 109.73 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.84 -36.61 81.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.404 -0.81 . . . . 0.0 109.294 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' X' ' 10' ' ' ILE . 88.2 t -62.59 -39.63 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' THR . . . . . 0.502 ' HA ' HD12 ' X' ' 11' ' ' LEU . 9.2 m -67.08 -36.45 82.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 109.682 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.35 95.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.686 -0.633 . . . . 0.0 109.94 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' X' ' 7' ' ' VAL . 64.2 mt -57.26 -39.58 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' X' ' 8' ' ' THR . 26.6 mt -63.06 -39.98 96.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.718 -0.614 . . . . 0.0 109.715 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -35.39 79.6 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.652 179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -67.66 -33.85 75.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' X' ' 11' ' ' LEU . 1.6 mt -65.04 -44.85 87.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.58 -0.7 . . . . 0.0 110.17 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.8 p -67.63 -39.54 84.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.539 -0.726 . . . . 0.0 109.944 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.23 -47.68 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.409 -0.807 . . . . 0.0 109.385 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -64.92 -38.16 90.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -40.8 82.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.7 . . . . 0.0 109.776 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -58.62 -47.93 82.69 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.416 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -38.37 86.35 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.6 -36.13 71.33 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.752 -0.593 . . . . 0.0 109.862 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.96 90.19 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -40.86 97.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.644 -0.66 . . . . 0.0 109.417 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -65.17 -40.12 93.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.443 -0.786 . . . . 0.0 110.048 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.46 -36.7 78.88 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.453 -0.779 . . . . 0.0 109.696 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.63 -39.75 73.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.66 -0.65 . . . . 0.0 110.072 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mt -71.11 -43.46 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.655 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.679 0.276 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' ASP . . . . . 0.561 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 3.9 m-20 56.49 64.83 1.57 Allowed 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.315 0.579 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.62 64.43 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.289 -0.882 . . . . 0.0 109.927 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.32 96.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.581 -0.699 . . . . 0.0 110.038 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' ALA . . . . . 0.561 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -62.24 -37.78 86.71 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.493 -0.755 . . . . 0.0 109.711 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.8 86.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.583 -0.698 . . . . 0.0 109.402 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.72 -39.74 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.22 96.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.72 -0.613 . . . . 0.0 110.306 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' X' ' 10' ' ' ILE . 19.6 mm -59.46 -41.38 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.4 -39.11 88.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.752 -0.593 . . . . 0.0 110.075 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.44 ' O ' HG23 ' X' ' 16' ' ' VAL . 7.0 t -59.86 -41.35 91.28 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.813 -0.554 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -40.81 97.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.487 -0.758 . . . . 0.0 109.935 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -44.49 93.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.517 -0.74 . . . . 0.0 109.527 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 25.1 m -58.26 -40.76 82.65 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.762 -0.586 . . . . 0.0 110.118 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' VAL . . . . . 0.44 HG23 ' O ' ' X' ' 12' ' ' SER . 98.3 t -62.32 -43.89 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.517 -0.739 . . . . 0.0 109.935 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -40.92 99.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.455 -0.778 . . . . 0.0 110.088 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -43.88 93.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.548 -0.72 . . . . 0.0 110.2 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -38.85 74.16 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -38.87 90.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.595 -0.691 . . . . 0.0 109.65 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -44.6 97.06 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.491 -0.756 . . . . 0.0 109.652 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.75 82.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.635 -0.666 . . . . 0.0 109.882 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 23' ' ' LEU . . . . . 0.455 ' O ' HG12 ' X' ' 27' ' ' ILE . 14.1 tp -64.59 -46.55 82.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.6 -0.688 . . . . 0.0 110.193 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.66 -39.32 90.94 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.72 84.17 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.537 -0.727 . . . . 0.0 109.872 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -26.12 65.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.405 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.455 HG12 ' O ' ' X' ' 23' ' ' LEU . 34.9 mm -84.82 -52.15 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.289 -0.882 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.761 -179.64 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.051 0.453 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -149.68 50.21 0.94 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.51 -0.744 . . . . 0.0 110.417 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.479 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -75.41 -48.0 24.83 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.203 -0.936 . . . . 0.0 110.803 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.2 78.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.551 -0.718 . . . . 0.0 110.852 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -36.23 83.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.364 -0.835 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.82 -38.76 86.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.414 -0.804 . . . . 0.0 109.478 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.479 HG23 ' O ' ' X' ' 3' ' ' ALA . 93.6 t -64.88 -39.69 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -67.27 -35.49 79.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.458 -0.776 . . . . 0.0 109.746 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.75 94.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.617 -0.677 . . . . 0.0 110.147 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.2 mm -61.97 -41.1 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -67.06 -39.56 86.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.779 -0.576 . . . . 0.0 109.784 178.481 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.446 ' O ' HG23 ' X' ' 16' ' ' VAL . 4.6 m -59.87 -40.27 88.06 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.811 -0.555 . . . . 0.0 110.222 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -61.3 -41.58 97.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -42.49 98.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -60.98 -41.39 96.35 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.484 -0.76 . . . . 0.0 109.994 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 12' ' ' SER . 87.5 t -60.29 -44.03 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.588 -0.695 . . . . 0.0 109.834 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.424 ' HA ' HD12 ' X' ' 20' ' ' LEU . 42.9 m -59.23 -43.89 92.35 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.35 -0.844 . . . . 0.0 109.644 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -65.96 -42.75 89.55 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.569 -0.707 . . . . 0.0 109.988 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -38.89 69.14 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 20' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' X' ' 17' ' ' THR . 13.9 mt -65.73 -41.05 92.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.681 -0.637 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -46.29 70.79 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -0.76 . . . . 0.0 109.761 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -44.83 91.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.85 -39.14 88.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.459 -0.776 . . . . 0.0 110.128 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' HIS . . . . . 0.415 ' O ' HG22 ' X' ' 27' ' ' ILE . 58.4 t-80 -64.58 -41.82 96.03 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.427 -0.796 . . . . 0.0 109.82 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.02 -35.23 77.95 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.449 -0.782 . . . . 0.0 109.867 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.95 -35.19 74.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.547 -0.72 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.415 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.6 OUTLIER -78.27 -28.73 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 0.0 110.722 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.496 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.019 0.438 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -99.42 -57.87 2.06 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.508 -0.745 . . . . 0.0 110.431 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.466 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -61.75 -30.84 71.05 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.499 -0.751 . . . . 0.0 111.07 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.56 81.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.345 -0.847 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.27 91.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.301 -0.874 . . . . 0.0 110.143 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.01 -35.82 79.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.34 -0.85 . . . . 0.0 109.414 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' X' ' 10' ' ' ILE . 80.3 t -63.68 -39.38 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -66.8 -36.45 82.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.634 -0.666 . . . . 0.0 109.937 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.34 95.93 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.553 -0.717 . . . . 0.0 109.872 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.4 mt -61.51 -40.14 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -39.17 92.92 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.172 0.51 . . . . 0.0 110.242 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -58.49 -45.47 88.63 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.742 -0.599 . . . . 0.0 109.772 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -63.76 -35.55 80.95 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.562 -0.711 . . . . 0.0 109.195 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.9 81.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -55.9 -46.39 78.37 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.553 -0.717 . . . . 0.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.29 -45.52 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.49 -0.756 . . . . 0.0 109.422 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -65.63 -38.48 89.52 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.545 -0.722 . . . . 0.0 109.601 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -40.69 81.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.692 -0.63 . . . . 0.0 109.878 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.14 -41.05 78.37 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -40.3 94.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.857 -0.527 . . . . 0.0 109.762 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.86 -39.92 82.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.453 -0.779 . . . . 0.0 109.603 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.9 -49.91 75.54 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.653 -0.654 . . . . 0.0 109.335 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.38 -41.42 80.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.932 -0.48 . . . . 0.0 110.035 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 24' ' ' HIS . . . . . 0.464 ' HA ' HD12 ' X' ' 27' ' ' ILE . 13.1 m170 -58.84 -41.42 86.87 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.643 -0.661 . . . . 0.0 109.984 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -65.72 -37.09 85.46 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.622 -0.674 . . . . 0.0 110.218 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -63.67 -30.21 71.35 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.382 -0.824 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' X' ' 24' ' ' HIS . 25.7 mt -79.69 -34.84 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.373 -0.829 . . . . 0.0 110.271 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.842 -1.075 . . . . 0.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.131 0.491 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.93 -47.87 84.42 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.692 -0.63 . . . . 0.0 110.684 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.446 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -58.27 -43.84 88.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.494 -0.754 . . . . 0.0 110.333 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.62 97.07 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.606 -0.684 . . . . 0.0 110.278 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.85 97.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.303 -0.873 . . . . 0.0 109.93 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -36.51 81.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 3' ' ' ALA . 95.4 t -63.25 -39.88 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 8' ' ' THR . . . . . 0.545 ' HA ' HD12 ' X' ' 11' ' ' LEU . 29.8 m -65.16 -37.19 86.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.87 92.2 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.681 -0.637 . . . . 0.0 110.147 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.1 -39.9 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.2 mt -64.45 -39.41 93.77 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.713 -0.617 . . . . 0.0 110.225 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -59.58 -44.16 93.43 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.819 -0.551 . . . . 0.0 109.908 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -70.41 -35.78 73.63 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 110.278 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.7 -41.56 86.57 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.457 -0.777 . . . . 0.0 110.435 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -68.23 -42.89 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.513 -0.742 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.46 -44.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.503 -0.748 . . . . 0.0 109.867 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.37 -36.71 83.13 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.54 -0.725 . . . . 0.0 110.345 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.32 -40.16 70.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.515 -0.741 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -41.98 84.59 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.5 -39.23 85.15 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.308 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -39.84 77.55 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.612 -0.68 . . . . 0.0 110.135 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -61.32 -45.55 93.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.517 -0.74 . . . . 0.0 109.541 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.36 -38.2 90.25 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.687 -0.633 . . . . 0.0 109.869 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -58.42 -42.48 87.33 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.653 -0.654 . . . . 0.0 110.012 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -35.56 80.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.576 -0.703 . . . . 0.0 109.907 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -32.48 74.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.421 -0.799 . . . . 0.0 109.96 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mt -79.04 -48.02 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.35 -0.843 . . . . 0.0 109.988 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.288 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.267 0.556 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -161.27 -176.71 5.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.562 -0.711 . . . . 0.0 110.26 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.57 84.98 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.606 -0.684 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.98 89.02 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.483 -0.76 . . . . 0.0 110.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.93 86.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.435 -0.791 . . . . 0.0 109.836 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -63.2 -35.34 80.0 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.371 -0.831 . . . . 0.0 109.269 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' X' ' 10' ' ' ILE . 87.5 t -64.7 -40.08 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' X' ' 11' ' ' LEU . 24.4 m -67.16 -36.08 81.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.651 -0.656 . . . . 0.0 109.686 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.01 97.09 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.698 -0.626 . . . . 0.0 110.261 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' X' ' 7' ' ' VAL . 36.4 mt -59.11 -39.93 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.5 mt -65.9 -38.43 88.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 110.179 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -60.07 -45.56 92.49 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.684 -0.635 . . . . 0.0 110.318 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -70.24 -34.8 73.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.441 -0.787 . . . . 0.0 110.299 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.69 -45.87 90.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 85.3 m -60.32 -40.1 89.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.84 -42.25 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.499 -0.75 . . . . 0.0 109.704 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -63.08 -39.07 93.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.443 -0.786 . . . . 0.0 109.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.5 88.79 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 110.07 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -59.47 -46.33 89.09 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.26 -37.88 86.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.73 -0.606 . . . . 0.0 109.419 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.68 -47.61 81.85 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.671 -0.643 . . . . 0.0 109.942 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -63.02 -41.36 99.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.611 -0.681 . . . . 0.0 110.111 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 23' ' ' LEU . . . . . 0.403 ' O ' HG12 ' X' ' 27' ' ' ILE . 3.7 tt -58.06 -45.38 87.15 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.587 -0.696 . . . . 0.0 109.629 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -65.17 -39.51 93.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.695 -0.628 . . . . 0.0 110.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.88 -37.64 77.03 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.457 -0.777 . . . . 0.0 109.927 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.57 -30.76 67.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.403 HG12 ' O ' ' X' ' 23' ' ' LEU . 31.9 mm -80.47 -40.94 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.372 -0.83 . . . . 0.0 110.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.448 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 120.838 0.352 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.65 -52.17 2.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.42 -0.8 . . . . 0.0 110.175 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.444 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.49 -45.63 91.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.49 -0.756 . . . . 0.0 110.309 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.28 91.85 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.621 -0.674 . . . . 0.0 110.22 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.47 97.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.969 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -62.42 -35.84 80.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.429 -0.794 . . . . 0.0 109.565 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' X' ' 10' ' ' ILE . 93.9 t -63.0 -40.04 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.5 m -66.2 -37.34 85.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.572 -0.705 . . . . 0.0 109.641 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.751 -0.593 . . . . 0.0 110.355 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.7 mt -59.35 -40.75 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.81 -40.47 95.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.669 -0.644 . . . . 0.0 109.779 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -68.56 -41.58 79.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -61.83 -34.43 75.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.589 -0.695 . . . . 0.0 110.125 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.23 82.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.555 -0.716 . . . . 0.0 109.694 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -60.02 -42.37 94.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.567 -0.708 . . . . 0.0 109.48 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.17 -43.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.663 -0.648 . . . . 0.0 109.672 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.5 m -60.9 -40.72 94.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.537 -0.727 . . . . 0.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.22 94.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.45 -0.782 . . . . 0.0 110.226 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -60.1 -40.92 91.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.76 -39.94 91.54 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.603 . . . . 0.0 109.689 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -44.34 97.4 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.57 -0.706 . . . . 0.0 109.654 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -42.12 97.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.649 -0.657 . . . . 0.0 110.003 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.79 -44.65 96.55 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.636 -0.665 . . . . 0.0 109.821 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -65.16 -38.64 91.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.594 -0.691 . . . . 0.0 109.88 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.34 -36.15 81.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.634 -0.666 . . . . 0.0 109.962 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -30.33 67.77 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.404 -0.81 . . . . 0.0 109.989 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -83.5 -37.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.421 -0.8 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.361 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 120.698 0.285 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.64 55.35 5.63 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.701 -0.625 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.484 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -65.36 -30.41 71.23 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.354 -0.841 . . . . 0.0 110.442 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.36 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.508 -0.745 . . . . 0.0 110.267 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.82 98.63 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.468 -0.77 . . . . 0.0 110.197 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.76 -35.53 80.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.308 -0.87 . . . . 0.0 109.329 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' X' ' 10' ' ' ILE . 90.4 t -64.04 -39.54 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 64.4 m -66.89 -36.56 82.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.535 -0.728 . . . . 0.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.71 -0.619 . . . . 0.0 109.983 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' X' ' 7' ' ' VAL . 67.6 mt -58.27 -41.32 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -38.53 89.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.862 -0.524 . . . . 0.0 110.381 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -57.89 -41.36 82.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.681 -0.637 . . . . 0.0 110.234 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -70.31 -34.9 73.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.283 -0.885 . . . . 0.0 109.607 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.03 -44.05 90.41 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.644 -0.66 . . . . 0.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.5 p -65.54 -40.3 92.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -0.777 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.84 -45.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.429 -0.794 . . . . 0.0 109.676 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 93.0 m -65.11 -44.58 88.28 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.483 -0.761 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -64.19 -39.02 93.1 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -0.81 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.57 -40.93 80.08 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.8 mm? -65.63 -41.44 92.66 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.602 -0.686 . . . . 0.0 109.537 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.28 -41.55 80.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.444 -0.785 . . . . 0.0 109.647 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.57 85.42 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.697 -0.627 . . . . 0.0 110.115 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.31 -39.27 78.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -64.52 -42.33 95.83 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 110.161 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.25 -40.47 97.5 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.5 -0.75 . . . . 0.0 110.02 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -67.11 -27.12 67.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.552 -0.718 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.57 -40.79 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.412 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 120.919 0.39 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.67 176.7 5.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.286 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.475 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -62.83 -45.62 91.75 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.32 93.91 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.552 -0.717 . . . . 0.0 110.152 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.27 90.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.421 -0.799 . . . . 0.0 110.004 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -36.17 82.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.379 -0.825 . . . . 0.0 109.35 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.475 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.5 t -63.66 -39.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 58.9 m -67.18 -36.91 82.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.524 -0.735 . . . . 0.0 109.859 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.7 88.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.1 mm -60.97 -39.1 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -38.11 89.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.703 -0.623 . . . . 0.0 109.831 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.491 ' O ' HG22 ' X' ' 15' ' ' THR . 1.6 t -63.56 -44.66 93.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.834 -0.541 . . . . 0.0 110.564 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.2 p -72.87 -33.37 66.03 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.133 -0.979 . . . . 0.0 110.394 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.43 -46.01 88.31 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.4 -0.812 . . . . 0.0 110.792 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 15' ' ' THR . . . . . 0.491 HG22 ' O ' ' X' ' 12' ' ' SER . 9.9 t -67.82 -36.25 80.07 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.439 -0.788 . . . . 0.0 110.697 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.95 -45.69 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.263 -0.898 . . . . 0.0 110.144 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 19.2 m -64.52 -40.15 95.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.374 -0.829 . . . . 0.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.29 -42.81 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.347 -0.845 . . . . 0.0 110.194 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.85 -41.6 78.22 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -39.92 89.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.724 -0.61 . . . . 0.0 109.723 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -43.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -60.7 -47.73 84.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.605 -0.684 . . . . 0.0 109.42 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 23' ' ' LEU . . . . . 0.437 ' O ' HG12 ' X' ' 27' ' ' ILE . 1.1 tt -59.82 -40.33 88.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 122.009 -0.432 . . . . 0.0 110.086 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -43.49 98.77 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.575 -0.703 . . . . 0.0 109.944 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -60.2 -34.9 74.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 109.608 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -67.33 -27.29 67.02 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.513 -0.742 . . . . 0.0 110.067 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.437 HG12 ' O ' ' X' ' 23' ' ' LEU . 41.2 mm -83.83 -42.92 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.431 -0.793 . . . . 0.0 110.171 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 117.699 -1.143 . . . . 0.0 110.823 -179.769 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.002 0.43 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.39 -55.49 27.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.559 -0.713 . . . . 0.0 110.196 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.86 67.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.581 -0.7 . . . . 0.0 110.317 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.2 96.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.579 -0.7 . . . . 0.0 109.778 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.64 78.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.478 -0.764 . . . . 0.0 109.695 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -65.0 -36.98 86.15 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.451 -0.781 . . . . 0.0 109.103 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' X' ' 10' ' ' ILE . 94.2 t -63.36 -39.11 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -67.78 -37.92 82.69 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.611 -0.681 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.45 98.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.688 -0.632 . . . . 0.0 110.295 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.41 -39.95 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.79 -38.69 92.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.76 -0.588 . . . . 0.0 110.127 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -59.55 -43.78 93.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.791 -0.568 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -73.52 -34.49 65.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 109.978 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -43.8 94.13 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.505 -0.747 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.334 -0.854 . . . . 0.0 109.865 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.13 -42.17 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 0.0 109.372 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 9.7 m -65.23 -39.57 92.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.54 -0.725 . . . . 0.0 109.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -38.48 91.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.408 -0.807 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.25 -41.17 88.16 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -39.41 93.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.678 -0.639 . . . . 0.0 109.538 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -60.04 -46.16 90.44 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.522 -0.736 . . . . 0.0 109.605 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -59.96 -40.79 90.26 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.73 -0.607 . . . . 0.0 110.005 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.76 -43.0 99.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.639 -0.663 . . . . 0.0 109.83 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.67 -39.57 94.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.502 -0.749 . . . . 0.0 109.961 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.99 -36.12 82.43 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.0 110.115 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -65.36 -33.66 76.48 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.509 -0.745 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -79.34 -29.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.44 -0.787 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.56 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 121.283 0.563 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.71 -51.61 1.15 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.356 -0.84 . . . . 0.0 110.666 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.427 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -61.04 -51.02 70.95 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.439 -0.788 . . . . 0.0 110.375 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.61 95.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.22 99.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.365 -0.834 . . . . 0.0 110.036 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -36.04 78.95 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.491 -0.756 . . . . 0.0 109.629 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' X' ' 10' ' ' ILE . 83.9 t -63.36 -39.22 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 30.8 m -67.83 -36.93 81.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.525 -0.734 . . . . 0.0 109.803 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.5 94.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 0.0 110.12 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.6 mt -57.99 -41.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.66 -40.54 88.67 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.29 0.567 . . . . 0.0 109.951 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 20.7 m -60.56 -43.44 97.26 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.785 -0.572 . . . . 0.0 109.839 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 71.6 m -61.74 -39.28 91.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.575 -0.703 . . . . 0.0 109.317 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -42.87 99.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.688 . . . . 0.0 109.438 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 90.9 m -53.66 -42.4 67.85 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.655 -0.653 . . . . 0.0 109.791 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 16' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' X' ' 19' ' ' LEU . 97.4 t -65.47 -44.36 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.567 -0.708 . . . . 0.0 109.468 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -66.18 -39.34 89.65 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.528 -0.733 . . . . 0.0 109.684 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -41.08 81.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.645 -0.659 . . . . 0.0 110.024 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.4 mt -58.92 -47.39 85.19 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -38.49 88.49 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -57.99 -40.44 80.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.662 -0.649 . . . . 0.0 110.099 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -65.9 -45.49 81.78 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.553 -0.717 . . . . 0.0 109.619 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -57.99 -42.44 85.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.72 -0.612 . . . . 0.0 109.837 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -65.27 -39.42 92.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.042 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.43 -36.42 78.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 109.946 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -70.01 -33.21 71.72 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.642 -0.662 . . . . 0.0 109.929 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' X' ' 28' ' ' SER . 72.4 mt -76.06 -31.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.387 -0.821 . . . . 0.0 110.614 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 28' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' X' ' 27' ' ' ILE . 58.3 m . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.605 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 120.922 0.391 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -147.01 49.61 1.12 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.472 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -52.22 -44.54 64.86 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.396 -0.815 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.46 98.63 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.442 -0.786 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.36 90.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.497 -0.752 . . . . 0.0 110.031 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -62.96 -36.56 83.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.393 -0.817 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.472 HG23 ' O ' ' X' ' 3' ' ' ALA . 76.8 t -62.99 -39.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -65.35 -36.89 85.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.589 -0.694 . . . . 0.0 109.567 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.1 95.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.73 -0.606 . . . . 0.0 110.07 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.34 -39.72 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' X' ' 14' ' ' LEU . 13.7 tp -64.22 -40.11 95.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.656 -0.653 . . . . 0.0 109.325 178.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.1 m -68.57 -40.81 80.43 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -58.41 -36.02 72.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.744 -0.597 . . . . 0.0 109.974 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' X' ' 11' ' ' LEU . 2.4 mt -59.38 -43.99 92.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.495 -0.753 . . . . 0.0 109.698 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -60.81 -41.02 94.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.678 -0.639 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.86 -43.38 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 0.0 109.703 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.53 -44.53 95.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.537 -0.727 . . . . 0.0 109.738 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.63 -40.37 83.18 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.891 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.4 OUTLIER -55.29 -41.66 72.6 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -39.59 91.81 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.728 -0.608 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -48.28 81.96 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.469 -0.77 . . . . 0.0 110.032 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -39.21 93.79 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 110.158 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 23' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' X' ' 23' ' ' LEU . 0.1 OUTLIER -60.12 -41.85 93.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.429 -0.794 . . . . 0.0 109.745 179.24 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.48 -38.94 91.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.608 -0.683 . . . . 0.0 109.827 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.7 -38.14 89.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.645 -0.659 . . . . 0.0 109.981 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -33.71 71.79 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.471 -0.768 . . . . 0.0 110.796 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -83.78 -50.23 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.33 -0.856 . . . . 0.0 110.175 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.881 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.75 0.31 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.17 89.86 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 121.405 0.621 . . . . 0.0 111.365 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.13 69.38 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.4 -0.812 . . . . 0.0 110.134 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.69 88.52 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.691 -0.63 . . . . 0.0 109.974 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.98 87.99 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.491 -0.755 . . . . 0.0 109.737 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.82 -37.61 87.45 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.6 t -62.07 -40.05 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -67.33 -36.36 81.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.12 94.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.621 -0.675 . . . . 0.0 110.225 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' X' ' 7' ' ' VAL . 52.5 mt -59.26 -41.18 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -65.78 -39.44 91.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.773 -0.58 . . . . 0.0 109.684 178.592 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -59.27 -37.38 77.49 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.864 -0.523 . . . . 0.0 109.846 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -61.04 -44.7 97.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.655 -0.653 . . . . 0.0 109.606 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -42.26 99.51 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.667 -0.646 . . . . 0.0 109.75 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -56.45 -41.72 76.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.648 -0.658 . . . . 0.0 109.724 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -62.84 -42.26 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.51 -0.744 . . . . 0.0 109.764 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -61.27 -38.98 88.69 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.425 -0.797 . . . . 0.0 109.573 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -39.92 95.75 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.118 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.18 -41.79 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.83 -39.56 90.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.713 -0.617 . . . . 0.0 109.994 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -44.7 94.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.407 -0.808 . . . . 0.0 110.063 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -42.42 79.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.582 -0.699 . . . . 0.0 110.123 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.08 -35.17 66.69 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 110.655 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -56.16 -39.91 73.07 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 0.0 110.017 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 -37.72 78.23 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.666 -0.646 . . . . 0.0 110.196 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -32.29 73.94 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.495 -0.753 . . . . 0.0 110.317 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -76.85 -34.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.255 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.401 179.959 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.137 0.494 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -165.95 -52.24 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.573 -0.705 . . . . 0.0 110.523 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.463 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -54.78 -42.19 71.46 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.506 -0.746 . . . . 0.0 110.956 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.98 99.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 110.29 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.76 88.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -62.81 -35.15 78.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.337 -0.852 . . . . 0.0 109.31 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.463 HG23 ' O ' ' X' ' 3' ' ' ALA . 73.7 t -62.28 -40.11 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.104 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 17.1 m -67.34 -36.81 82.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.703 -0.623 . . . . 0.0 109.887 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.71 89.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.728 -0.608 . . . . 0.0 110.118 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.5 mt -58.95 -42.38 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.705 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.37 -41.46 85.02 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.478 0.656 . . . . 0.0 109.571 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.465 ' O ' HG23 ' X' ' 16' ' ' VAL . 29.1 m -63.34 -41.43 98.86 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.877 -0.515 . . . . 0.0 110.039 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -67.69 -33.53 75.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.4 -0.813 . . . . 0.0 109.989 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -48.91 73.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.579 -0.701 . . . . 0.0 110.101 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -58.78 -39.32 80.68 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.504 -0.748 . . . . 0.0 109.884 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 16' ' ' VAL . . . . . 0.465 HG23 ' O ' ' X' ' 12' ' ' SER . 86.5 t -61.41 -42.26 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 178.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -64.91 -40.03 94.44 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 109.673 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.44 -44.1 96.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.581 -0.7 . . . . 0.0 110.324 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -41.93 82.48 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.028 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -39.22 90.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.667 -0.646 . . . . 0.0 109.836 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -42.89 99.46 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.436 -0.79 . . . . 0.0 110.031 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -63.09 -41.92 99.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.843 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.4 -38.26 88.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.527 -0.733 . . . . 0.0 109.998 179.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' X' X ' 24' ' ' HIS . . . . . 0.569 ' O ' HG22 ' X' ' 27' ' ' ILE . 3.8 t-80 -65.65 -39.71 91.68 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.573 -0.705 . . . . 0.0 110.37 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -35.18 75.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -28.23 64.57 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.533 -0.729 . . . . 0.0 110.847 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' X' X ' 27' ' ' ILE . . . . . 0.569 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.1 OUTLIER -73.48 -30.1 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.319 -0.863 . . . . 0.0 110.577 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.989 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.03 0.443 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.98 -37.24 6.38 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.616 -0.677 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.483 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -66.89 -49.9 64.13 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.249 -0.907 . . . . 0.0 110.525 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.8 90.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.505 -0.747 . . . . 0.0 110.343 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.63 99.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -35.75 78.91 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.335 -0.853 . . . . 0.0 109.398 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.483 HG23 ' O ' ' X' ' 3' ' ' ALA . 98.9 t -62.54 -39.15 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.326 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -65.84 -37.54 86.48 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.585 -0.697 . . . . 0.0 109.798 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.53 88.15 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.506 HG22 HD12 ' X' ' 14' ' ' LEU . 18.5 mm -59.63 -39.17 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' X' ' 15' ' ' THR . 43.6 tp -64.38 -38.72 92.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.576 -0.703 . . . . 0.0 109.774 178.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -60.14 -45.97 91.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.726 -0.609 . . . . 0.0 110.041 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -74.7 -32.89 62.31 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.222 -0.924 . . . . 0.0 110.017 179.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.506 HD12 HG22 ' X' ' 10' ' ' ILE . 3.7 mt -58.99 -41.94 88.83 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.527 -0.733 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 15' ' ' THR . . . . . 0.468 HG23 ' O ' ' X' ' 11' ' ' LEU . 75.6 p -60.32 -41.46 93.56 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.371 -0.831 . . . . 0.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.02 -42.2 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.611 -0.681 . . . . 0.0 109.384 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -63.08 -40.02 96.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.593 -0.692 . . . . 0.0 109.718 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -39.63 90.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.695 . . . . 0.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.51 -44.02 89.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -40.27 87.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.8 -0.563 . . . . 0.0 109.56 178.53 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.45 94.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.61 -0.681 . . . . 0.0 110.01 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.6 98.47 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.551 -0.718 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -40.69 89.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.672 -0.643 . . . . 0.0 109.909 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -64.22 -41.51 97.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.602 -0.686 . . . . 0.0 109.96 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -61.55 -34.82 76.22 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 0.0 110.021 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -32.53 72.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.519 -0.738 . . . . 0.0 109.873 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mt -83.7 -46.01 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.0 110.052 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.314 -179.914 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.46 178.25 7.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.437 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -60.09 -44.12 95.04 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.592 -0.692 . . . . 0.0 110.044 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.638 -0.664 . . . . 0.0 110.094 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.18 96.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.828 . . . . 0.0 109.941 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.68 -36.2 80.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.423 -0.798 . . . . 0.0 109.391 178.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' X' ' 10' ' ' ILE . 99.0 t -63.7 -39.9 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.329 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -66.46 -36.98 84.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.509 -0.744 . . . . 0.0 109.727 178.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.34 96.65 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.624 -0.672 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.03 -41.23 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.693 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.73 -38.17 88.43 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.76 -0.587 . . . . 0.0 109.973 178.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -61.73 -33.11 73.46 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.849 -0.532 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -37.61 78.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.291 -0.88 . . . . 0.0 109.374 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -47.14 74.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.637 -0.664 . . . . 0.0 110.476 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -58.01 -39.11 77.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.405 -0.809 . . . . 0.0 110.019 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.76 -42.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.5 m -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.457 -0.777 . . . . 0.0 109.489 179.058 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -39.54 93.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 109.775 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.528 ' HA ' ' HD3' ' X' ' 22' ' ' ARG . 7.9 mt -57.85 -37.95 74.79 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -40.34 95.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.568 -0.708 . . . . 0.0 109.094 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -63.85 -37.46 87.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.573 -0.705 . . . . 0.0 109.628 178.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' X' ' 19' ' ' LEU . 22.3 mtp180 -60.58 -48.49 81.53 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.455 -0.778 . . . . 0.0 109.595 179.194 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.17 90.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.635 -0.666 . . . . 0.0 109.673 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -63.72 -45.06 91.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 0.0 109.862 179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.13 -39.99 88.19 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.695 -0.628 . . . . 0.0 109.984 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -58.3 -36.75 73.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.507 -0.746 . . . . 0.0 109.917 179.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.28 -45.61 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.0 109.681 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.229 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' X' X ' 2' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 22.2 t70 -140.64 139.46 34.85 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.815 . . . . 0.0 110.152 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -67.74 -47.35 69.52 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.39 98.24 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.27 -0.894 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 5' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -65.26 -38.85 91.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.446 -0.784 . . . . 0.0 110.207 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -62.07 -36.24 81.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.349 -0.844 . . . . 0.0 109.626 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' X' ' 10' ' ' ILE . 74.1 t -63.85 -40.13 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 178.197 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -70.68 -36.07 73.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 109.906 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.87 92.0 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.709 -0.619 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.8 mt -57.36 -41.69 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.287 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -38.15 86.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.592 -0.692 . . . . 0.0 110.023 179.014 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 70.8 m -64.71 -46.6 81.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.714 -0.616 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.2 p -64.86 -34.35 78.18 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.58 -46.75 86.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.347 -0.846 . . . . 0.0 110.095 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -37.11 80.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.526 -0.734 . . . . 0.0 110.206 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.76 -46.26 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -63.25 -41.14 99.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.277 -0.889 . . . . 0.0 110.301 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.84 -39.38 94.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.293 -0.879 . . . . 0.0 110.149 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.99 -39.2 94.03 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.9 mm? -66.01 -39.53 90.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.791 -0.568 . . . . 0.0 109.968 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.39 -44.67 95.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.368 -0.833 . . . . 0.0 109.784 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -42.76 88.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.622 -0.674 . . . . 0.0 110.023 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tp -68.81 -35.53 77.11 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.788 . . . . 0.0 110.46 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -40.0 74.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.29 -0.881 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.53 -43.26 99.19 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.356 -0.84 . . . . 0.0 109.202 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -70.59 -31.73 68.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.624 -0.673 . . . . 0.0 109.863 178.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 mm -74.67 -52.8 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.154 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.925 -179.816 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 120.966 0.412 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.0 -56.06 2.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.528 -0.732 . . . . 0.0 110.322 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.455 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -57.92 -33.19 68.51 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.541 -0.725 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.05 77.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.502 -0.749 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.6 98.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.398 -0.814 . . . . 0.0 110.106 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.89 -35.59 78.8 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.408 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' X' ' 3' ' ' ALA . 67.7 t -63.05 -39.78 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.291 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -64.84 -37.91 89.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.575 -0.703 . . . . 0.0 109.723 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.44 89.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.735 -0.603 . . . . 0.0 110.24 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.69 -40.98 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -39.8 94.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 178.67 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -59.71 -37.69 79.56 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.777 -0.577 . . . . 0.0 109.64 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.09 -41.78 98.54 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.611 -0.681 . . . . 0.0 109.275 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.88 92.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.727 -0.608 . . . . 0.0 109.755 179.151 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 31.4 m -59.79 -42.3 93.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.52 -0.737 . . . . 0.0 109.545 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.45 -42.21 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.072 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -63.98 -38.79 92.36 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.578 -0.701 . . . . 0.0 110.016 179.118 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -40.98 96.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.41 77.7 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.715 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -40.11 91.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.643 -0.66 . . . . 0.0 109.574 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -60.35 -44.36 95.63 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.415 -0.803 . . . . 0.0 109.642 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -39.85 91.37 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 109.777 179.026 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.24 -43.23 92.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.568 -0.707 . . . . 0.0 109.809 179.25 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -65.82 -39.13 90.56 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.91 -35.76 79.33 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.443 -0.786 . . . . 0.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -69.85 -34.45 73.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.312 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mt -78.95 -49.26 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.531 -0.73 . . . . 0.0 110.081 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.537 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' X' X ' 1' ' ' SER . . . . . 0.408 ' O ' ' C ' ' X' ' 2' ' ' ASP . 22.0 m . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 120.782 0.325 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 2' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' X' ' 1' ' ' SER . 2.9 p-10 31.77 52.46 0.21 Allowed 'General case' 0 N--CA 1.508 2.463 0 CA-C-O 121.451 0.643 . . . . 0.0 112.197 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.57 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -69.05 -33.06 72.99 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.286 -0.884 . . . . 0.0 110.547 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.49 81.24 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.475 -0.765 . . . . 0.0 110.269 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.6 87.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.818 . . . . 0.0 109.943 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -36.53 80.5 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.51 -0.744 . . . . 0.0 109.444 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.1 t -63.88 -39.94 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.241 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -67.05 -36.3 81.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.529 -0.732 . . . . 0.0 109.683 178.783 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.95 92.86 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.703 -0.623 . . . . 0.0 110.142 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' X' ' 7' ' ' VAL . 61.1 mt -60.08 -41.09 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -40.76 87.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.824 -0.548 . . . . 0.0 109.855 178.754 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.5 m -58.93 -42.7 90.33 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.815 -0.553 . . . . 0.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -62.69 -40.77 98.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.686 -0.634 . . . . 0.0 109.694 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.28 -42.79 99.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.659 -0.65 . . . . 0.0 109.695 179.365 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 60.1 m -55.94 -42.12 75.69 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.643 -0.661 . . . . 0.0 109.746 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 16' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' X' ' 19' ' ' LEU . 91.8 t -64.48 -43.85 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.651 -0.655 . . . . 0.0 109.567 179.157 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -59.97 -39.49 85.83 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.533 -0.73 . . . . 0.0 109.947 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.76 -40.98 97.03 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.127 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.3 mt -56.37 -42.12 77.32 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 20' ' ' LEU . . . . . 0.516 HD12 ' O ' ' X' ' 16' ' ' VAL . 1.0 OUTLIER -65.84 -40.42 91.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.686 -0.634 . . . . 0.0 109.733 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -61.89 -44.35 96.98 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.418 -0.801 . . . . 0.0 110.085 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -39.59 86.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.625 -0.672 . . . . 0.0 109.889 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.03 -42.76 95.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.49 -0.756 . . . . 0.0 109.482 178.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -65.53 -40.41 92.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 109.399 178.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.72 -33.33 73.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.677 -0.639 . . . . 0.0 109.974 179.079 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -69.55 -32.75 71.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.496 -0.752 . . . . 0.0 110.108 179.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.0 mt -81.32 -45.4 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.44 -0.787 . . . . 0.0 110.596 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.695 -179.632 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.246 0.546 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' X' X ' 2' ' ' ASP . . . . . 0.62 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 0.7 OUTLIER -117.87 64.37 0.75 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.774 . . . . 0.0 110.312 -179.818 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -61.93 -43.2 99.34 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.419 -0.801 . . . . 0.0 110.073 179.794 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.74 92.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 5' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -64.34 -40.91 96.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.321 -0.862 . . . . 0.0 109.847 179.391 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -60.76 -36.34 78.68 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.459 -0.776 . . . . 0.0 109.489 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 7' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.9 t -63.3 -39.57 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.341 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -68.45 -36.45 79.03 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.584 -0.698 . . . . 0.0 109.743 178.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.13 88.99 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.77 -0.581 . . . . 0.0 110.25 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' X' ' 7' ' ' VAL . 50.9 mt -60.66 -40.82 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.306 0.574 . . . . 0.0 109.914 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -60.52 -45.7 92.87 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.774 -0.579 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 52.7 p -64.23 -35.12 79.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.447 -0.783 . . . . 0.0 109.837 179.352 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.518 -0.739 . . . . 0.0 109.686 179.209 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.7 m -57.6 -42.14 82.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.652 -0.655 . . . . 0.0 109.556 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.79 -43.15 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.581 -0.699 . . . . 0.0 109.613 179.196 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.85 -39.34 88.76 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -39.63 93.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.463 -0.773 . . . . 0.0 109.879 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.62 -45.11 89.91 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.17 -39.7 89.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.737 -0.602 . . . . 0.0 109.664 178.71 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' X' ' 21' ' ' ARG . 9.3 mmm-85 -61.11 -38.26 85.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.612 -0.68 . . . . 0.0 109.863 179.509 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.19 -43.06 99.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.52 -0.738 . . . . 0.0 109.405 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.42 -41.44 93.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.591 . . . . 0.0 109.425 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -64.23 -41.53 96.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.626 -0.671 . . . . 0.0 110.01 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -37.5 77.84 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.816 179.293 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.32 -34.49 77.8 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.545 -0.722 . . . . 0.0 109.808 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 19.2 mt -83.08 -42.47 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.552 -0.717 . . . . 0.0 109.559 179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.76 -1.114 . . . . 0.0 110.135 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.042 0 CA-C-O 120.961 0.41 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.25 96.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.805 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.74 90.53 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.538 -0.726 . . . . 0.0 109.718 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -62.08 -36.43 81.65 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.526 -0.734 . . . . 0.0 109.537 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.476 HG23 ' O ' ' X' ' 3' ' ' ALA . 83.0 t -63.72 -39.81 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -68.25 -36.59 79.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.595 -0.691 . . . . 0.0 109.711 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.54 94.23 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.783 -0.573 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' X' ' 7' ' ' VAL . 53.0 mt -56.97 -42.04 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.64 -39.67 88.38 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.764 -0.585 . . . . 0.0 110.192 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -59.61 -44.39 93.43 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.67 -0.644 . . . . 0.0 110.257 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 45.5 m -62.83 -39.07 93.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.611 -0.681 . . . . 0.0 109.903 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -42.26 94.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.673 -0.642 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -57.58 -42.51 83.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.91 -42.89 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.668 -0.645 . . . . 0.0 109.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.3 m -60.15 -39.47 86.45 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.495 -0.753 . . . . 0.0 110.121 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.15 -46.02 85.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.525 -0.734 . . . . 0.0 110.276 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -38.71 72.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.45 -40.22 89.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.7 -0.625 . . . . 0.0 109.811 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -62.02 -41.2 97.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.522 -0.737 . . . . 0.0 109.996 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.19 95.94 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.61 -0.681 . . . . 0.0 109.767 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.83 -45.74 92.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -65.04 -39.37 93.23 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.673 . . . . 0.0 109.888 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.75 -36.6 74.6 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.528 -0.733 . . . . 0.0 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -72.47 -37.56 68.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.506 -0.746 . . . . 0.0 110.054 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.48 -43.91 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.513 -0.742 . . . . 0.0 110.374 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.461 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.981 0 CA-C-O 120.817 0.342 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.96 97.52 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 0.0 110.017 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.82 85.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 109.802 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -36.78 82.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 109.346 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.462 HG23 ' O ' ' X' ' 3' ' ' ALA . 92.1 t -63.3 -39.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.1 -36.49 82.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.646 -0.659 . . . . 0.0 109.919 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.78 94.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.68 -0.638 . . . . 0.0 110.169 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' X' ' 10' ' ' ILE . 22.3 mm -58.57 -41.4 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -37.76 86.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.794 -0.567 . . . . 0.0 110.231 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -45.67 90.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.681 -0.637 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -64.39 -37.64 88.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.467 -0.771 . . . . 0.0 109.455 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.07 -36.66 82.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.67 -0.644 . . . . 0.0 109.851 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -59.07 -43.62 91.78 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.593 -0.692 . . . . 0.0 109.519 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.85 -47.94 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.625 -0.672 . . . . 0.0 109.225 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -62.35 -39.06 91.9 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.666 -0.647 . . . . 0.0 109.739 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -63.67 -44.32 94.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.412 -0.805 . . . . 0.0 109.966 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.68 -37.58 65.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.8 -43.28 84.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.496 -0.752 . . . . 0.0 109.765 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -39.3 80.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.378 -0.826 . . . . 0.0 109.985 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.68 95.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.543 -0.723 . . . . 0.0 109.815 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.84 -40.54 83.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.456 -0.777 . . . . 0.0 109.987 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -62.88 -39.98 96.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.553 -0.717 . . . . 0.0 110.3 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -37.35 84.84 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.762 . . . . 0.0 109.981 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -70.25 -29.92 66.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.448 -0.782 . . . . 0.0 110.183 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -83.83 -52.02 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.366 -0.834 . . . . 0.0 110.027 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.823 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.536 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.981 0.419 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.0 92.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.456 -0.777 . . . . 0.0 110.099 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.7 98.45 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.49 -0.756 . . . . 0.0 110.388 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' X' ' 7' ' ' VAL . 0.0 OUTLIER -63.28 -33.22 75.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 179.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.536 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.6 t -64.45 -39.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -65.2 -37.34 87.01 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.596 -0.69 . . . . 0.0 109.557 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.63 85.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.731 -0.606 . . . . 0.0 110.24 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' X' ' 10' ' ' ILE . 17.9 mm -60.09 -40.2 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.42 -40.65 93.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.752 -0.592 . . . . 0.0 109.69 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m -69.17 -43.51 74.11 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.789 -0.57 . . . . 0.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.1 m -61.33 -34.9 76.03 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.63 -0.668 . . . . 0.0 110.222 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -35.92 73.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.627 -0.671 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -60.54 -45.23 94.62 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.459 -0.776 . . . . 0.0 109.97 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.2 -42.16 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.533 -0.729 . . . . 0.0 109.679 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -60.23 -39.9 88.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -0.816 . . . . 0.0 110.108 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -41.89 99.43 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.467 -0.771 . . . . 0.0 109.992 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.72 -42.42 93.03 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.54 -39.39 91.7 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -59.78 -37.64 79.63 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.544 -0.723 . . . . 0.0 109.706 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -45.8 91.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.595 -0.691 . . . . 0.0 109.411 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.61 -46.05 87.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.738 -0.601 . . . . 0.0 109.695 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -65.3 -40.51 93.89 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.597 -0.689 . . . . 0.0 109.7 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.77 -35.06 73.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.621 -0.674 . . . . 0.0 109.792 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -69.68 -33.49 72.63 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.516 -0.74 . . . . 0.0 109.585 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mm -75.7 -39.32 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.544 -0.722 . . . . 0.0 109.961 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.339 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.986 0 CA-C-O 120.91 0.385 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.4 96.35 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.506 -0.747 . . . . 0.0 110.415 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.3 90.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.423 -0.798 . . . . 0.0 110.053 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' X' ' 6' ' ' ARG . 10.9 mmp_? -63.66 -35.7 81.42 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.218 -0.926 . . . . 0.0 109.378 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' X' ' 10' ' ' ILE . 91.8 t -63.09 -38.92 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -68.48 -36.47 78.99 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 109.559 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.69 88.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.792 -0.568 . . . . 0.0 110.336 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' X' ' 7' ' ' VAL . 41.7 mt -61.24 -41.34 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -39.95 90.42 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.17 0.509 . . . . 0.0 110.076 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.8 t -61.08 -44.28 97.6 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.729 -0.607 . . . . 0.0 110.092 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -62.92 -39.66 95.24 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.519 -0.738 . . . . 0.0 109.839 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -41.71 97.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.609 -0.682 . . . . 0.0 110.048 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -61.6 -41.44 97.44 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.575 -0.703 . . . . 0.0 109.987 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.03 -43.93 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.498 -0.751 . . . . 0.0 109.885 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -62.12 -40.57 96.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.506 -0.746 . . . . 0.0 110.163 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.59 -47.27 82.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.436 -0.79 . . . . 0.0 110.081 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' X' ' 19' ' ' LEU . 2.0 mm? -54.12 -39.78 66.73 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -40.7 94.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.825 -0.547 . . . . 0.0 109.672 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.65 -42.7 99.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.538 -0.726 . . . . 0.0 109.837 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -44.36 97.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.717 -0.614 . . . . 0.0 110.025 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.79 -42.27 88.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.84 -0.537 . . . . 0.0 110.091 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -63.33 -38.92 93.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.511 -0.743 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -34.52 78.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.51 -0.744 . . . . 0.0 110.067 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -69.29 -33.16 72.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.497 -0.752 . . . . 0.0 110.063 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.39 -40.26 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 0.0 109.885 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.132 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.428 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.037 0 CA-C-O 120.649 0.261 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.16 78.92 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.354 -0.841 . . . . 0.0 110.699 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.57 90.87 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.318 -0.864 . . . . 0.0 109.901 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.23 82.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.368 -0.833 . . . . 0.0 109.35 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.0 t -62.8 -39.37 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -67.21 -37.27 83.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.517 -0.739 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.97 92.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.685 -0.634 . . . . 0.0 110.228 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.1 mt -59.48 -40.93 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.97 -38.85 86.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.66 -0.65 . . . . 0.0 110.241 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.1 t -58.65 -45.58 89.01 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.835 -0.54 . . . . 0.0 110.703 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -68.89 -36.52 78.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.476 -0.765 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.27 -46.4 88.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.434 -0.791 . . . . 0.0 110.151 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 28.2 m -63.0 -40.4 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.459 -0.776 . . . . 0.0 109.945 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.06 -42.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.398 -0.813 . . . . 0.0 109.329 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -69.05 -42.38 76.37 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.486 -0.759 . . . . 0.0 109.718 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -41.28 99.22 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.552 -0.717 . . . . 0.0 110.263 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.76 -40.14 87.18 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.37 -39.69 85.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 110.188 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -62.11 -44.72 96.04 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.454 -0.779 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -60.89 -46.99 88.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.644 -0.66 . . . . 0.0 109.883 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.4 -38.85 88.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.56 -41.42 85.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.551 -0.718 . . . . 0.0 110.178 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.95 -38.19 79.28 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 0.0 109.894 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -62.05 -32.03 72.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.48 -0.763 . . . . 0.0 110.11 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -78.86 -31.5 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.433 -0.792 . . . . 0.0 110.113 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.441 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' HD2' ' X' ' 6' ' ' ARG . . . . . . . . 0 N--CA 1.498 1.933 0 CA-C-O 120.711 0.291 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.97 73.79 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.649 -0.657 . . . . 0.0 110.429 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.77 80.09 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.391 -0.818 . . . . 0.0 110.056 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' HA ' ' X' ' 3' ' ' ALA . 7.2 mtt180 -62.1 -37.85 86.64 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.339 -0.851 . . . . 0.0 109.305 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.11 -40.08 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.651 -0.656 . . . . 0.0 109.932 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.79 93.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.73 -0.606 . . . . 0.0 110.263 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.86 -40.01 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.34 -39.69 92.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.699 -0.626 . . . . 0.0 109.495 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -33.2 69.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.879 -0.513 . . . . 0.0 109.87 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -62.88 -39.93 95.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.11 -44.23 80.48 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.737 -0.602 . . . . 0.0 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -66.85 -40.13 87.8 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.412 -0.805 . . . . 0.0 109.974 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.74 -41.7 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.431 -0.793 . . . . 0.0 109.398 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 56.1 m -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.427 -0.796 . . . . 0.0 109.499 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.19 93.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 109.733 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.22 -39.67 79.68 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.94 -40.77 95.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.638 -0.664 . . . . 0.0 109.7 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.93 -43.27 91.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.53 -0.731 . . . . 0.0 109.854 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.65 -40.47 92.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.57 -0.706 . . . . 0.0 109.773 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.57 -39.38 83.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.743 . . . . 0.0 109.807 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . 0.715 ' HA ' HD12 ' X' ' 27' ' ' ILE . 0.3 OUTLIER -64.95 -39.9 94.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.674 -0.641 . . . . 0.0 109.538 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.37 79.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.659 . . . . 0.0 109.776 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -26.8 68.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.461 -0.775 . . . . 0.0 110.208 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' X' ' 24' ' ' HIS . 26.0 mt -82.21 -33.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.311 -0.868 . . . . 0.0 110.02 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.403 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 120.721 0.296 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.38 90.46 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.481 -0.762 . . . . 0.0 110.399 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.7 92.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 109.641 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.76 -35.99 81.61 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.423 -0.798 . . . . 0.0 109.165 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.8 t -63.91 -39.66 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -66.84 -36.89 83.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.539 -0.725 . . . . 0.0 109.732 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.82 95.61 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.796 -0.565 . . . . 0.0 110.111 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.4 mt -59.47 -40.3 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.52 -39.61 94.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.687 -0.633 . . . . 0.0 109.978 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -61.56 -42.5 98.93 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -67.43 -35.61 79.58 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.501 -0.749 . . . . 0.0 109.913 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -41.27 93.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.553 -0.717 . . . . 0.0 110.56 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -38.56 91.63 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.366 -0.834 . . . . 0.0 109.98 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.55 -42.14 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.331 -0.856 . . . . 0.0 109.482 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -64.48 -41.52 96.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.488 -0.757 . . . . 0.0 109.911 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.44 -41.06 96.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.359 -0.838 . . . . 0.0 110.497 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.44 -40.72 83.36 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . 0.896 ' HA ' HD23 ' X' ' 23' ' ' LEU . 6.8 tp -66.16 -39.96 90.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.713 -0.617 . . . . 0.0 109.855 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -65.53 -38.04 88.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.345 -0.847 . . . . 0.0 109.586 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -62.76 -46.32 88.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.657 -0.652 . . . . 0.0 110.23 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' X' ' 20' ' ' LEU . 0.3 OUTLIER -61.25 -34.78 75.7 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.633 -0.667 . . . . 0.0 109.937 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . 0.565 ' N ' ' HG ' ' X' ' 23' ' ' LEU . 4.8 t-80 -66.35 -39.69 89.33 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.259 -0.901 . . . . 0.0 109.556 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -33.77 76.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.676 . . . . 0.0 109.97 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -62.16 -38.74 90.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.469 -0.769 . . . . 0.0 109.733 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.663 HD12 ' O ' ' X' ' 23' ' ' LEU . 1.6 mp -84.65 -45.89 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.535 -0.728 . . . . 0.0 109.993 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.501 2.107 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.79 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.494 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.043 0 CA-C-O 120.818 0.342 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.75 99.67 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.549 -0.719 . . . . 0.0 109.977 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.15 86.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.524 -0.735 . . . . 0.0 109.73 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.84 -36.61 81.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.404 -0.81 . . . . 0.0 109.294 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' X' ' 10' ' ' ILE . 88.2 t -62.59 -39.63 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . 0.502 ' HA ' HD12 ' X' ' 11' ' ' LEU . 9.2 m -67.08 -36.45 82.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 109.682 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.35 95.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.686 -0.633 . . . . 0.0 109.94 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' X' ' 7' ' ' VAL . 64.2 mt -57.26 -39.58 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' X' ' 8' ' ' THR . 26.6 mt -63.06 -39.98 96.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.718 -0.614 . . . . 0.0 109.715 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -35.39 79.6 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.652 179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -67.66 -33.85 75.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' X' ' 11' ' ' LEU . 1.6 mt -65.04 -44.85 87.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.58 -0.7 . . . . 0.0 110.17 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.8 p -67.63 -39.54 84.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.539 -0.726 . . . . 0.0 109.944 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.23 -47.68 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.409 -0.807 . . . . 0.0 109.385 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -64.92 -38.16 90.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -40.8 82.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.7 . . . . 0.0 109.776 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -58.62 -47.93 82.69 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -38.37 86.35 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.6 -36.13 71.33 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.752 -0.593 . . . . 0.0 109.862 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.96 90.19 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -40.86 97.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.644 -0.66 . . . . 0.0 109.417 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -65.17 -40.12 93.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.443 -0.786 . . . . 0.0 110.048 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.46 -36.7 78.88 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.453 -0.779 . . . . 0.0 109.696 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.63 -39.75 73.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.66 -0.65 . . . . 0.0 110.072 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mt -71.11 -43.46 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.655 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.002 0.43 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.32 96.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.581 -0.699 . . . . 0.0 110.038 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.24 -37.78 86.71 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.493 -0.755 . . . . 0.0 109.711 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.8 86.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.583 -0.698 . . . . 0.0 109.402 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.72 -39.74 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.22 96.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.72 -0.613 . . . . 0.0 110.306 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' X' ' 10' ' ' ILE . 19.6 mm -59.46 -41.38 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.4 -39.11 88.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.752 -0.593 . . . . 0.0 110.075 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.44 ' O ' HG23 ' X' ' 16' ' ' VAL . 7.0 t -59.86 -41.35 91.28 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.813 -0.554 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -40.81 97.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.487 -0.758 . . . . 0.0 109.935 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -44.49 93.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.517 -0.74 . . . . 0.0 109.527 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 25.1 m -58.26 -40.76 82.65 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.762 -0.586 . . . . 0.0 110.118 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . 0.44 HG23 ' O ' ' X' ' 12' ' ' SER . 98.3 t -62.32 -43.89 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.517 -0.739 . . . . 0.0 109.935 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -40.92 99.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.455 -0.778 . . . . 0.0 110.088 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -43.88 93.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.548 -0.72 . . . . 0.0 110.2 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -38.85 74.16 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -38.87 90.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.595 -0.691 . . . . 0.0 109.65 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -44.6 97.06 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.491 -0.756 . . . . 0.0 109.652 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.75 82.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.635 -0.666 . . . . 0.0 109.882 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . 0.455 ' O ' HG12 ' X' ' 27' ' ' ILE . 14.1 tp -64.59 -46.55 82.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.6 -0.688 . . . . 0.0 110.193 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.66 -39.32 90.94 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.72 84.17 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.537 -0.727 . . . . 0.0 109.872 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -26.12 65.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.405 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.455 HG12 ' O ' ' X' ' 23' ' ' LEU . 34.9 mm -84.82 -52.15 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.289 -0.882 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.761 -179.64 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.479 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.2 78.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.551 -0.718 . . . . 0.0 110.852 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -36.23 83.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.364 -0.835 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.82 -38.76 86.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.414 -0.804 . . . . 0.0 109.478 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.479 HG23 ' O ' ' X' ' 3' ' ' ALA . 93.6 t -64.88 -39.69 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -67.27 -35.49 79.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.458 -0.776 . . . . 0.0 109.746 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.75 94.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.617 -0.677 . . . . 0.0 110.147 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.2 mm -61.97 -41.1 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -67.06 -39.56 86.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.779 -0.576 . . . . 0.0 109.784 178.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.446 ' O ' HG23 ' X' ' 16' ' ' VAL . 4.6 m -59.87 -40.27 88.06 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.811 -0.555 . . . . 0.0 110.222 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -61.3 -41.58 97.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -42.49 98.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -60.98 -41.39 96.35 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.484 -0.76 . . . . 0.0 109.994 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 12' ' ' SER . 87.5 t -60.29 -44.03 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.588 -0.695 . . . . 0.0 109.834 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.424 ' HA ' HD12 ' X' ' 20' ' ' LEU . 42.9 m -59.23 -43.89 92.35 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.35 -0.844 . . . . 0.0 109.644 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -65.96 -42.75 89.55 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.569 -0.707 . . . . 0.0 109.988 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -38.89 69.14 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' X' ' 17' ' ' THR . 13.9 mt -65.73 -41.05 92.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.681 -0.637 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -46.29 70.79 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -0.76 . . . . 0.0 109.761 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -44.83 91.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.85 -39.14 88.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.459 -0.776 . . . . 0.0 110.128 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . 0.415 ' O ' HG22 ' X' ' 27' ' ' ILE . 58.4 t-80 -64.58 -41.82 96.03 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.427 -0.796 . . . . 0.0 109.82 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.02 -35.23 77.95 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.449 -0.782 . . . . 0.0 109.867 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.95 -35.19 74.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.547 -0.72 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.415 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.6 OUTLIER -78.27 -28.73 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 0.0 110.722 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.496 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.466 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 120.695 0.283 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.56 81.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.345 -0.847 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.27 91.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.301 -0.874 . . . . 0.0 110.143 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.01 -35.82 79.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.34 -0.85 . . . . 0.0 109.414 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' X' ' 10' ' ' ILE . 80.3 t -63.68 -39.38 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -66.8 -36.45 82.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.634 -0.666 . . . . 0.0 109.937 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.34 95.93 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.553 -0.717 . . . . 0.0 109.872 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.4 mt -61.51 -40.14 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -39.17 92.92 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.172 0.51 . . . . 0.0 110.242 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -58.49 -45.47 88.63 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.742 -0.599 . . . . 0.0 109.772 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -63.76 -35.55 80.95 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.562 -0.711 . . . . 0.0 109.195 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.9 81.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -55.9 -46.39 78.37 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.553 -0.717 . . . . 0.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.29 -45.52 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.49 -0.756 . . . . 0.0 109.422 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -65.63 -38.48 89.52 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.545 -0.722 . . . . 0.0 109.601 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -40.69 81.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.692 -0.63 . . . . 0.0 109.878 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.14 -41.05 78.37 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -40.3 94.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.857 -0.527 . . . . 0.0 109.762 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.86 -39.92 82.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.453 -0.779 . . . . 0.0 109.603 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.9 -49.91 75.54 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.653 -0.654 . . . . 0.0 109.335 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.38 -41.42 80.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.932 -0.48 . . . . 0.0 110.035 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . 0.464 ' HA ' HD12 ' X' ' 27' ' ' ILE . 13.1 m170 -58.84 -41.42 86.87 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.643 -0.661 . . . . 0.0 109.984 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -65.72 -37.09 85.46 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.622 -0.674 . . . . 0.0 110.218 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -63.67 -30.21 71.35 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.382 -0.824 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' X' ' 24' ' ' HIS . 25.7 mt -79.69 -34.84 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.373 -0.829 . . . . 0.0 110.271 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.842 -1.075 . . . . 0.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.446 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 120.926 0.393 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.62 97.07 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.606 -0.684 . . . . 0.0 110.278 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.85 97.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.303 -0.873 . . . . 0.0 109.93 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -36.51 81.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 3' ' ' ALA . 95.4 t -63.25 -39.88 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . 0.545 ' HA ' HD12 ' X' ' 11' ' ' LEU . 29.8 m -65.16 -37.19 86.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.87 92.2 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.681 -0.637 . . . . 0.0 110.147 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.1 -39.9 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.2 mt -64.45 -39.41 93.77 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.713 -0.617 . . . . 0.0 110.225 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -59.58 -44.16 93.43 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.819 -0.551 . . . . 0.0 109.908 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -70.41 -35.78 73.63 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 110.278 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.7 -41.56 86.57 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.457 -0.777 . . . . 0.0 110.435 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -68.23 -42.89 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.513 -0.742 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.46 -44.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.503 -0.748 . . . . 0.0 109.867 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.37 -36.71 83.13 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.54 -0.725 . . . . 0.0 110.345 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.32 -40.16 70.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.515 -0.741 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -41.98 84.59 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.5 -39.23 85.15 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.308 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -39.84 77.55 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.612 -0.68 . . . . 0.0 110.135 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -61.32 -45.55 93.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.517 -0.74 . . . . 0.0 109.541 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.36 -38.2 90.25 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.687 -0.633 . . . . 0.0 109.869 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -58.42 -42.48 87.33 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.653 -0.654 . . . . 0.0 110.012 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -35.56 80.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.576 -0.703 . . . . 0.0 109.907 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -32.48 74.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.421 -0.799 . . . . 0.0 109.96 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mt -79.04 -48.02 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.35 -0.843 . . . . 0.0 109.988 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.288 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 120.787 0.327 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.98 89.02 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.483 -0.76 . . . . 0.0 110.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.93 86.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.435 -0.791 . . . . 0.0 109.836 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -63.2 -35.34 80.0 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.371 -0.831 . . . . 0.0 109.269 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' X' ' 10' ' ' ILE . 87.5 t -64.7 -40.08 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' X' ' 11' ' ' LEU . 24.4 m -67.16 -36.08 81.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.651 -0.656 . . . . 0.0 109.686 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.01 97.09 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.698 -0.626 . . . . 0.0 110.261 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' X' ' 7' ' ' VAL . 36.4 mt -59.11 -39.93 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.5 mt -65.9 -38.43 88.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 110.179 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -60.07 -45.56 92.49 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.684 -0.635 . . . . 0.0 110.318 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -70.24 -34.8 73.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.441 -0.787 . . . . 0.0 110.299 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.69 -45.87 90.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 85.3 m -60.32 -40.1 89.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.84 -42.25 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.499 -0.75 . . . . 0.0 109.704 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -63.08 -39.07 93.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.443 -0.786 . . . . 0.0 109.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.5 88.79 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 110.07 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -59.47 -46.33 89.09 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.26 -37.88 86.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.73 -0.606 . . . . 0.0 109.419 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.68 -47.61 81.85 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.671 -0.643 . . . . 0.0 109.942 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -63.02 -41.36 99.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.611 -0.681 . . . . 0.0 110.111 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . 0.403 ' O ' HG12 ' X' ' 27' ' ' ILE . 3.7 tt -58.06 -45.38 87.15 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.587 -0.696 . . . . 0.0 109.629 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -65.17 -39.51 93.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.695 -0.628 . . . . 0.0 110.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.88 -37.64 77.03 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.457 -0.777 . . . . 0.0 109.927 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.57 -30.76 67.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.403 HG12 ' O ' ' X' ' 23' ' ' LEU . 31.9 mm -80.47 -40.94 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.372 -0.83 . . . . 0.0 110.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.448 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.444 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.957 0 CA-C-O 120.89 0.376 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.28 91.85 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.621 -0.674 . . . . 0.0 110.22 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.47 97.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.969 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -62.42 -35.84 80.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.429 -0.794 . . . . 0.0 109.565 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' X' ' 10' ' ' ILE . 93.9 t -63.0 -40.04 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.5 m -66.2 -37.34 85.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.572 -0.705 . . . . 0.0 109.641 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.751 -0.593 . . . . 0.0 110.355 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.7 mt -59.35 -40.75 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.81 -40.47 95.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.669 -0.644 . . . . 0.0 109.779 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -68.56 -41.58 79.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -61.83 -34.43 75.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.589 -0.695 . . . . 0.0 110.125 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.23 82.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.555 -0.716 . . . . 0.0 109.694 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -60.02 -42.37 94.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.567 -0.708 . . . . 0.0 109.48 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.17 -43.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.663 -0.648 . . . . 0.0 109.672 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.5 m -60.9 -40.72 94.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.537 -0.727 . . . . 0.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.22 94.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.45 -0.782 . . . . 0.0 110.226 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -60.1 -40.92 91.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.76 -39.94 91.54 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.603 . . . . 0.0 109.689 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -44.34 97.4 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.57 -0.706 . . . . 0.0 109.654 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -42.12 97.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.649 -0.657 . . . . 0.0 110.003 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.79 -44.65 96.55 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.636 -0.665 . . . . 0.0 109.821 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -65.16 -38.64 91.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.594 -0.691 . . . . 0.0 109.88 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.34 -36.15 81.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.634 -0.666 . . . . 0.0 109.962 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -30.33 67.77 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.404 -0.81 . . . . 0.0 109.989 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -83.5 -37.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.421 -0.8 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.361 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.484 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.054 0 CA-C-O 120.922 0.391 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.36 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.508 -0.745 . . . . 0.0 110.267 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.82 98.63 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.468 -0.77 . . . . 0.0 110.197 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.76 -35.53 80.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.308 -0.87 . . . . 0.0 109.329 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' X' ' 10' ' ' ILE . 90.4 t -64.04 -39.54 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 64.4 m -66.89 -36.56 82.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.535 -0.728 . . . . 0.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.71 -0.619 . . . . 0.0 109.983 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' X' ' 7' ' ' VAL . 67.6 mt -58.27 -41.32 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -38.53 89.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.862 -0.524 . . . . 0.0 110.381 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -57.89 -41.36 82.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.681 -0.637 . . . . 0.0 110.234 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -70.31 -34.9 73.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.283 -0.885 . . . . 0.0 109.607 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.03 -44.05 90.41 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.644 -0.66 . . . . 0.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.5 p -65.54 -40.3 92.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -0.777 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.84 -45.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.429 -0.794 . . . . 0.0 109.676 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 93.0 m -65.11 -44.58 88.28 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.483 -0.761 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -64.19 -39.02 93.1 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -0.81 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.57 -40.93 80.08 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.8 mm? -65.63 -41.44 92.66 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.602 -0.686 . . . . 0.0 109.537 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.28 -41.55 80.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.444 -0.785 . . . . 0.0 109.647 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.57 85.42 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.697 -0.627 . . . . 0.0 110.115 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.31 -39.27 78.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -64.52 -42.33 95.83 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 110.161 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.25 -40.47 97.5 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.5 -0.75 . . . . 0.0 110.02 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -67.11 -27.12 67.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.552 -0.718 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.57 -40.79 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.412 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.475 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.497 1.923 0 CA-C-O 120.983 0.421 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.32 93.91 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.552 -0.717 . . . . 0.0 110.152 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.27 90.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.421 -0.799 . . . . 0.0 110.004 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -36.17 82.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.379 -0.825 . . . . 0.0 109.35 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.475 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.5 t -63.66 -39.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 58.9 m -67.18 -36.91 82.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.524 -0.735 . . . . 0.0 109.859 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.7 88.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.1 mm -60.97 -39.1 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -38.11 89.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.703 -0.623 . . . . 0.0 109.831 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.491 ' O ' HG22 ' X' ' 15' ' ' THR . 1.6 t -63.56 -44.66 93.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.834 -0.541 . . . . 0.0 110.564 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.2 p -72.87 -33.37 66.03 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.133 -0.979 . . . . 0.0 110.394 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.43 -46.01 88.31 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.4 -0.812 . . . . 0.0 110.792 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . 0.491 HG22 ' O ' ' X' ' 12' ' ' SER . 9.9 t -67.82 -36.25 80.07 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.439 -0.788 . . . . 0.0 110.697 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.95 -45.69 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.263 -0.898 . . . . 0.0 110.144 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 19.2 m -64.52 -40.15 95.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.374 -0.829 . . . . 0.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.29 -42.81 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.347 -0.845 . . . . 0.0 110.194 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.85 -41.6 78.22 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -39.92 89.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.724 -0.61 . . . . 0.0 109.723 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -43.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -60.7 -47.73 84.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.605 -0.684 . . . . 0.0 109.42 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . 0.437 ' O ' HG12 ' X' ' 27' ' ' ILE . 1.1 tt -59.82 -40.33 88.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 122.009 -0.432 . . . . 0.0 110.086 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -43.49 98.77 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.575 -0.703 . . . . 0.0 109.944 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -60.2 -34.9 74.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 109.608 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -67.33 -27.29 67.02 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.513 -0.742 . . . . 0.0 110.067 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.437 HG12 ' O ' ' X' ' 23' ' ' LEU . 41.2 mm -83.83 -42.92 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.431 -0.793 . . . . 0.0 110.171 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 117.699 -1.143 . . . . 0.0 110.823 -179.769 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 120.989 0.424 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.2 96.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.579 -0.7 . . . . 0.0 109.778 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.64 78.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.478 -0.764 . . . . 0.0 109.695 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -65.0 -36.98 86.15 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.451 -0.781 . . . . 0.0 109.103 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' X' ' 10' ' ' ILE . 94.2 t -63.36 -39.11 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -67.78 -37.92 82.69 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.611 -0.681 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.45 98.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.688 -0.632 . . . . 0.0 110.295 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.41 -39.95 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.79 -38.69 92.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.76 -0.588 . . . . 0.0 110.127 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -59.55 -43.78 93.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.791 -0.568 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -73.52 -34.49 65.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 109.978 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -43.8 94.13 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.505 -0.747 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.334 -0.854 . . . . 0.0 109.865 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.13 -42.17 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 0.0 109.372 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 9.7 m -65.23 -39.57 92.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.54 -0.725 . . . . 0.0 109.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -38.48 91.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.408 -0.807 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.25 -41.17 88.16 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -39.41 93.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.678 -0.639 . . . . 0.0 109.538 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -60.04 -46.16 90.44 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.522 -0.736 . . . . 0.0 109.605 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -59.96 -40.79 90.26 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.73 -0.607 . . . . 0.0 110.005 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.76 -43.0 99.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.639 -0.663 . . . . 0.0 109.83 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.67 -39.57 94.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.502 -0.749 . . . . 0.0 109.961 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.99 -36.12 82.43 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.0 110.115 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -65.36 -33.66 76.48 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.509 -0.745 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -79.34 -29.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.44 -0.787 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.56 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.427 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.981 0 CA-C-O 120.963 0.411 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.61 95.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.22 99.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.365 -0.834 . . . . 0.0 110.036 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -36.04 78.95 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.491 -0.756 . . . . 0.0 109.629 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' X' ' 10' ' ' ILE . 83.9 t -63.36 -39.22 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 30.8 m -67.83 -36.93 81.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.525 -0.734 . . . . 0.0 109.803 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.5 94.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 0.0 110.12 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.6 mt -57.99 -41.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.66 -40.54 88.67 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.29 0.567 . . . . 0.0 109.951 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 20.7 m -60.56 -43.44 97.26 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.785 -0.572 . . . . 0.0 109.839 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 71.6 m -61.74 -39.28 91.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.575 -0.703 . . . . 0.0 109.317 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -42.87 99.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.688 . . . . 0.0 109.438 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 90.9 m -53.66 -42.4 67.85 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.655 -0.653 . . . . 0.0 109.791 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' X' ' 19' ' ' LEU . 97.4 t -65.47 -44.36 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.567 -0.708 . . . . 0.0 109.468 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -66.18 -39.34 89.65 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.528 -0.733 . . . . 0.0 109.684 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -41.08 81.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.645 -0.659 . . . . 0.0 110.024 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.4 mt -58.92 -47.39 85.19 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -38.49 88.49 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -57.99 -40.44 80.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.662 -0.649 . . . . 0.0 110.099 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -65.9 -45.49 81.78 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.553 -0.717 . . . . 0.0 109.619 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -57.99 -42.44 85.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.72 -0.612 . . . . 0.0 109.837 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -65.27 -39.42 92.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.042 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.43 -36.42 78.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 109.946 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -70.01 -33.21 71.72 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.642 -0.662 . . . . 0.0 109.929 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' X' ' 28' ' ' SER . 72.4 mt -76.06 -31.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.387 -0.821 . . . . 0.0 110.614 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' X' ' 27' ' ' ILE . 58.3 m . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.605 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.472 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.46 98.63 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.442 -0.786 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.36 90.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.497 -0.752 . . . . 0.0 110.031 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -62.96 -36.56 83.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.393 -0.817 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.472 HG23 ' O ' ' X' ' 3' ' ' ALA . 76.8 t -62.99 -39.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -65.35 -36.89 85.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.589 -0.694 . . . . 0.0 109.567 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.1 95.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.73 -0.606 . . . . 0.0 110.07 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.34 -39.72 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' X' ' 14' ' ' LEU . 13.7 tp -64.22 -40.11 95.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.656 -0.653 . . . . 0.0 109.325 178.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.1 m -68.57 -40.81 80.43 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -58.41 -36.02 72.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.744 -0.597 . . . . 0.0 109.974 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' X' ' 11' ' ' LEU . 2.4 mt -59.38 -43.99 92.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.495 -0.753 . . . . 0.0 109.698 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -60.81 -41.02 94.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.678 -0.639 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.86 -43.38 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 0.0 109.703 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.53 -44.53 95.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.537 -0.727 . . . . 0.0 109.738 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.63 -40.37 83.18 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.891 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.4 OUTLIER -55.29 -41.66 72.6 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -39.59 91.81 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.728 -0.608 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -48.28 81.96 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.469 -0.77 . . . . 0.0 110.032 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -39.21 93.79 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 110.158 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' X' ' 23' ' ' LEU . 0.1 OUTLIER -60.12 -41.85 93.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.429 -0.794 . . . . 0.0 109.745 179.24 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.48 -38.94 91.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.608 -0.683 . . . . 0.0 109.827 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.7 -38.14 89.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.645 -0.659 . . . . 0.0 109.981 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -33.71 71.79 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.471 -0.768 . . . . 0.0 110.796 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -83.78 -50.23 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.33 -0.856 . . . . 0.0 110.175 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.881 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.001 0 CA-C-O 120.96 0.41 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.69 88.52 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.691 -0.63 . . . . 0.0 109.974 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.98 87.99 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.491 -0.755 . . . . 0.0 109.737 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.82 -37.61 87.45 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.6 t -62.07 -40.05 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -67.33 -36.36 81.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.12 94.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.621 -0.675 . . . . 0.0 110.225 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' X' ' 7' ' ' VAL . 52.5 mt -59.26 -41.18 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -65.78 -39.44 91.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.773 -0.58 . . . . 0.0 109.684 178.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -59.27 -37.38 77.49 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.864 -0.523 . . . . 0.0 109.846 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -61.04 -44.7 97.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.655 -0.653 . . . . 0.0 109.606 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -42.26 99.51 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.667 -0.646 . . . . 0.0 109.75 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -56.45 -41.72 76.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.648 -0.658 . . . . 0.0 109.724 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -62.84 -42.26 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.51 -0.744 . . . . 0.0 109.764 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -61.27 -38.98 88.69 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.425 -0.797 . . . . 0.0 109.573 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -39.92 95.75 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.118 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.18 -41.79 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.83 -39.56 90.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.713 -0.617 . . . . 0.0 109.994 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -44.7 94.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.407 -0.808 . . . . 0.0 110.063 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -42.42 79.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.582 -0.699 . . . . 0.0 110.123 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.08 -35.17 66.69 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 110.655 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -56.16 -39.91 73.07 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 0.0 110.017 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 -37.72 78.23 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.666 -0.646 . . . . 0.0 110.196 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -32.29 73.94 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.495 -0.753 . . . . 0.0 110.317 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -76.85 -34.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.255 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.401 179.959 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.463 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 120.86 0.362 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.98 99.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 110.29 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.76 88.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -62.81 -35.15 78.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.337 -0.852 . . . . 0.0 109.31 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.463 HG23 ' O ' ' X' ' 3' ' ' ALA . 73.7 t -62.28 -40.11 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 17.1 m -67.34 -36.81 82.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.703 -0.623 . . . . 0.0 109.887 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.71 89.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.728 -0.608 . . . . 0.0 110.118 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.5 mt -58.95 -42.38 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.705 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.37 -41.46 85.02 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.478 0.656 . . . . 0.0 109.571 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.465 ' O ' HG23 ' X' ' 16' ' ' VAL . 29.1 m -63.34 -41.43 98.86 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.877 -0.515 . . . . 0.0 110.039 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -67.69 -33.53 75.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.4 -0.813 . . . . 0.0 109.989 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -48.91 73.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.579 -0.701 . . . . 0.0 110.101 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -58.78 -39.32 80.68 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.504 -0.748 . . . . 0.0 109.884 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . 0.465 HG23 ' O ' ' X' ' 12' ' ' SER . 86.5 t -61.41 -42.26 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 178.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -64.91 -40.03 94.44 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 109.673 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.44 -44.1 96.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.581 -0.7 . . . . 0.0 110.324 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -41.93 82.48 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -39.22 90.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.667 -0.646 . . . . 0.0 109.836 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -42.89 99.46 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.436 -0.79 . . . . 0.0 110.031 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -63.09 -41.92 99.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.843 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.4 -38.26 88.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.527 -0.733 . . . . 0.0 109.998 179.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . 0.569 ' O ' HG22 ' X' ' 27' ' ' ILE . 3.8 t-80 -65.65 -39.71 91.68 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.573 -0.705 . . . . 0.0 110.37 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -35.18 75.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -28.23 64.57 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.533 -0.729 . . . . 0.0 110.847 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . 0.569 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.1 OUTLIER -73.48 -30.1 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.319 -0.863 . . . . 0.0 110.577 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.989 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.483 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.499 1.999 0 CA-C-O 120.853 0.358 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.8 90.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.505 -0.747 . . . . 0.0 110.343 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.63 99.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -35.75 78.91 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.335 -0.853 . . . . 0.0 109.398 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.483 HG23 ' O ' ' X' ' 3' ' ' ALA . 98.9 t -62.54 -39.15 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.326 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -65.84 -37.54 86.48 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.585 -0.697 . . . . 0.0 109.798 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.53 88.15 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.506 HG22 HD12 ' X' ' 14' ' ' LEU . 18.5 mm -59.63 -39.17 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' X' ' 15' ' ' THR . 43.6 tp -64.38 -38.72 92.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.576 -0.703 . . . . 0.0 109.774 178.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -60.14 -45.97 91.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.726 -0.609 . . . . 0.0 110.041 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -74.7 -32.89 62.31 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.222 -0.924 . . . . 0.0 110.017 179.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.506 HD12 HG22 ' X' ' 10' ' ' ILE . 3.7 mt -58.99 -41.94 88.83 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.527 -0.733 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . 0.468 HG23 ' O ' ' X' ' 11' ' ' LEU . 75.6 p -60.32 -41.46 93.56 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.371 -0.831 . . . . 0.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.02 -42.2 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.611 -0.681 . . . . 0.0 109.384 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -63.08 -40.02 96.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.593 -0.692 . . . . 0.0 109.718 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -39.63 90.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.695 . . . . 0.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.51 -44.02 89.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -40.27 87.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.8 -0.563 . . . . 0.0 109.56 178.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.45 94.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.61 -0.681 . . . . 0.0 110.01 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.6 98.47 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.551 -0.718 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -40.69 89.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.672 -0.643 . . . . 0.0 109.909 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -64.22 -41.51 97.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.602 -0.686 . . . . 0.0 109.96 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -61.55 -34.82 76.22 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 0.0 110.021 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -32.53 72.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.519 -0.738 . . . . 0.0 109.873 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mt -83.7 -46.01 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.0 110.052 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.314 -179.914 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.437 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.978 0.418 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.638 -0.664 . . . . 0.0 110.094 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.18 96.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.828 . . . . 0.0 109.941 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.68 -36.2 80.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.423 -0.798 . . . . 0.0 109.391 178.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' X' ' 10' ' ' ILE . 99.0 t -63.7 -39.9 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -66.46 -36.98 84.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.509 -0.744 . . . . 0.0 109.727 178.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.34 96.65 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.624 -0.672 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.03 -41.23 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.73 -38.17 88.43 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.76 -0.587 . . . . 0.0 109.973 178.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -61.73 -33.11 73.46 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.849 -0.532 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -37.61 78.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.291 -0.88 . . . . 0.0 109.374 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -47.14 74.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.637 -0.664 . . . . 0.0 110.476 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -58.01 -39.11 77.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.405 -0.809 . . . . 0.0 110.019 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.76 -42.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.5 m -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.457 -0.777 . . . . 0.0 109.489 179.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -39.54 93.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 109.775 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.528 ' HA ' ' HD3' ' X' ' 22' ' ' ARG . 7.9 mt -57.85 -37.95 74.79 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -40.34 95.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.568 -0.708 . . . . 0.0 109.094 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -63.85 -37.46 87.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.573 -0.705 . . . . 0.0 109.628 178.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' X' ' 19' ' ' LEU . 22.3 mtp180 -60.58 -48.49 81.53 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.455 -0.778 . . . . 0.0 109.595 179.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.17 90.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.635 -0.666 . . . . 0.0 109.673 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -63.72 -45.06 91.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 0.0 109.862 179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.13 -39.99 88.19 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.695 -0.628 . . . . 0.0 109.984 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -58.3 -36.75 73.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.507 -0.746 . . . . 0.0 109.917 179.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.28 -45.61 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.0 109.681 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.229 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 120.857 0.36 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.39 98.24 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.27 -0.894 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.85 91.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.446 -0.784 . . . . 0.0 110.207 179.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -62.07 -36.24 81.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.349 -0.844 . . . . 0.0 109.626 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' X' ' 10' ' ' ILE . 74.1 t -63.85 -40.13 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 178.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -70.68 -36.07 73.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 109.906 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.87 92.0 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.709 -0.619 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.8 mt -57.36 -41.69 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.287 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -38.15 86.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.592 -0.692 . . . . 0.0 110.023 179.014 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 70.8 m -64.71 -46.6 81.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.714 -0.616 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.2 p -64.86 -34.35 78.18 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.58 -46.75 86.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.347 -0.846 . . . . 0.0 110.095 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -37.11 80.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.526 -0.734 . . . . 0.0 110.206 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.76 -46.26 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -63.25 -41.14 99.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.277 -0.889 . . . . 0.0 110.301 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.84 -39.38 94.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.293 -0.879 . . . . 0.0 110.149 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.99 -39.2 94.03 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.9 mm? -66.01 -39.53 90.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.791 -0.568 . . . . 0.0 109.968 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.39 -44.67 95.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.368 -0.833 . . . . 0.0 109.784 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -42.76 88.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.622 -0.674 . . . . 0.0 110.023 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tp -68.81 -35.53 77.11 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.788 . . . . 0.0 110.46 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -40.0 74.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.29 -0.881 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.53 -43.26 99.19 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.356 -0.84 . . . . 0.0 109.202 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -70.59 -31.73 68.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.624 -0.673 . . . . 0.0 109.863 178.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 mm -74.67 -52.8 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.154 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.925 -179.816 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.455 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.05 77.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.502 -0.749 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.6 98.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.398 -0.814 . . . . 0.0 110.106 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.89 -35.59 78.8 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.408 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' X' ' 3' ' ' ALA . 67.7 t -63.05 -39.78 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -64.84 -37.91 89.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.575 -0.703 . . . . 0.0 109.723 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.44 89.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.735 -0.603 . . . . 0.0 110.24 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.69 -40.98 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -39.8 94.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 178.67 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -59.71 -37.69 79.56 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.777 -0.577 . . . . 0.0 109.64 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.09 -41.78 98.54 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.611 -0.681 . . . . 0.0 109.275 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.88 92.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.727 -0.608 . . . . 0.0 109.755 179.151 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 31.4 m -59.79 -42.3 93.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.52 -0.737 . . . . 0.0 109.545 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.45 -42.21 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -63.98 -38.79 92.36 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.578 -0.701 . . . . 0.0 110.016 179.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -40.98 96.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.41 77.7 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.715 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -40.11 91.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.643 -0.66 . . . . 0.0 109.574 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -60.35 -44.36 95.63 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.415 -0.803 . . . . 0.0 109.642 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -39.85 91.37 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 109.777 179.026 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.24 -43.23 92.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.568 -0.707 . . . . 0.0 109.809 179.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -65.82 -39.13 90.56 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.91 -35.76 79.33 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.443 -0.786 . . . . 0.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -69.85 -34.45 73.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.312 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mt -78.95 -49.26 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.531 -0.73 . . . . 0.0 110.081 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.537 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.57 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.5 2.061 0 CA-C-O 120.843 0.354 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.49 81.24 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.475 -0.765 . . . . 0.0 110.269 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.6 87.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.818 . . . . 0.0 109.943 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -36.53 80.5 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.51 -0.744 . . . . 0.0 109.444 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.1 t -63.88 -39.94 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.241 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -67.05 -36.3 81.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.529 -0.732 . . . . 0.0 109.683 178.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.95 92.86 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.703 -0.623 . . . . 0.0 110.142 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' X' ' 7' ' ' VAL . 61.1 mt -60.08 -41.09 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -40.76 87.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.824 -0.548 . . . . 0.0 109.855 178.754 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.5 m -58.93 -42.7 90.33 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.815 -0.553 . . . . 0.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -62.69 -40.77 98.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.686 -0.634 . . . . 0.0 109.694 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.28 -42.79 99.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.659 -0.65 . . . . 0.0 109.695 179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 60.1 m -55.94 -42.12 75.69 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.643 -0.661 . . . . 0.0 109.746 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' X' ' 19' ' ' LEU . 91.8 t -64.48 -43.85 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.651 -0.655 . . . . 0.0 109.567 179.157 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -59.97 -39.49 85.83 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.533 -0.73 . . . . 0.0 109.947 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.76 -40.98 97.03 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.127 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.3 mt -56.37 -42.12 77.32 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . 0.516 HD12 ' O ' ' X' ' 16' ' ' VAL . 1.0 OUTLIER -65.84 -40.42 91.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.686 -0.634 . . . . 0.0 109.733 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -61.89 -44.35 96.98 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.418 -0.801 . . . . 0.0 110.085 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -39.59 86.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.625 -0.672 . . . . 0.0 109.889 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.03 -42.76 95.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.49 -0.756 . . . . 0.0 109.482 178.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -65.53 -40.41 92.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 109.399 178.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.72 -33.33 73.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.677 -0.639 . . . . 0.0 109.974 179.079 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -69.55 -32.75 71.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.496 -0.752 . . . . 0.0 110.108 179.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.0 mt -81.32 -45.4 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.44 -0.787 . . . . 0.0 110.596 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.695 -179.632 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 120.98 0.419 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.74 92.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.91 96.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.321 -0.862 . . . . 0.0 109.847 179.391 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -60.76 -36.34 78.68 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.459 -0.776 . . . . 0.0 109.489 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 7' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.9 t -63.3 -39.57 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.341 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -68.45 -36.45 79.03 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.584 -0.698 . . . . 0.0 109.743 178.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.13 88.99 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.77 -0.581 . . . . 0.0 110.25 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' X' ' 7' ' ' VAL . 50.9 mt -60.66 -40.82 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.306 0.574 . . . . 0.0 109.914 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -60.52 -45.7 92.87 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.774 -0.579 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 52.7 p -64.23 -35.12 79.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.447 -0.783 . . . . 0.0 109.837 179.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.518 -0.739 . . . . 0.0 109.686 179.209 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.7 m -57.6 -42.14 82.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.652 -0.655 . . . . 0.0 109.556 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.79 -43.15 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.581 -0.699 . . . . 0.0 109.613 179.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.85 -39.34 88.76 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -39.63 93.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.463 -0.773 . . . . 0.0 109.879 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.62 -45.11 89.91 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.17 -39.7 89.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.737 -0.602 . . . . 0.0 109.664 178.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' X' ' 21' ' ' ARG . 9.3 mmm-85 -61.11 -38.26 85.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.612 -0.68 . . . . 0.0 109.863 179.509 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.19 -43.06 99.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.52 -0.738 . . . . 0.0 109.405 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.42 -41.44 93.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.591 . . . . 0.0 109.425 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -64.23 -41.53 96.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.626 -0.671 . . . . 0.0 110.01 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -37.5 77.84 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.816 179.293 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.32 -34.49 77.8 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.545 -0.722 . . . . 0.0 109.808 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 19.2 mt -83.08 -42.47 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.552 -0.717 . . . . 0.0 109.559 179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.76 -1.114 . . . . 0.0 110.135 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 121.131 0.491 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.37 -31.5 7.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.709 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.31 -50.67 73.1 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.276 -0.89 . . . . 0.0 110.282 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.25 96.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.805 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.74 90.53 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.538 -0.726 . . . . 0.0 109.718 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -62.08 -36.43 81.65 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.526 -0.734 . . . . 0.0 109.537 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.476 HG23 ' O ' ' X' ' 3' ' ' ALA . 83.0 t -63.72 -39.81 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 89.9 m -68.25 -36.59 79.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.595 -0.691 . . . . 0.0 109.711 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.54 94.23 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.783 -0.573 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' X' ' 7' ' ' VAL . 53.0 mt -56.97 -42.04 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.64 -39.67 88.38 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.764 -0.585 . . . . 0.0 110.192 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -59.61 -44.39 93.43 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.67 -0.644 . . . . 0.0 110.257 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 45.5 m -62.83 -39.07 93.21 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.611 -0.681 . . . . 0.0 109.903 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -42.26 94.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.673 -0.642 . . . . 0.0 109.64 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.0 m -57.58 -42.51 83.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.713 -0.617 . . . . 0.0 109.425 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -62.91 -42.89 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.668 -0.645 . . . . 0.0 109.771 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.3 m -60.15 -39.47 86.45 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.495 -0.753 . . . . 0.0 110.121 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -64.15 -46.02 85.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.525 -0.734 . . . . 0.0 110.276 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -38.71 72.46 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.45 -40.22 89.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.7 -0.625 . . . . 0.0 109.811 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -62.02 -41.2 97.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.522 -0.737 . . . . 0.0 109.996 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.19 95.94 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.61 -0.681 . . . . 0.0 109.767 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.83 -45.74 92.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.633 -0.667 . . . . 0.0 109.857 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -65.04 -39.37 93.23 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.673 . . . . 0.0 109.888 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.75 -36.6 74.6 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.528 -0.733 . . . . 0.0 109.921 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -72.47 -37.56 68.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.506 -0.746 . . . . 0.0 110.054 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mt -75.48 -43.91 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.513 -0.742 . . . . 0.0 110.374 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.461 -179.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 53.84 80.13 0.12 Allowed 'General case' 0 N--CA 1.5 2.053 0 CA-C-O 121.36 0.6 . . . . 0.0 110.8 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -65.91 -44.61 84.7 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.455 -0.778 . . . . 0.0 110.492 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.96 97.52 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 0.0 110.017 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.82 85.39 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.435 -0.791 . . . . 0.0 109.802 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -36.78 82.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 109.346 178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.462 HG23 ' O ' ' X' ' 3' ' ' ALA . 92.1 t -63.3 -39.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -67.1 -36.49 82.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.646 -0.659 . . . . 0.0 109.919 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.78 94.71 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.68 -0.638 . . . . 0.0 110.169 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' X' ' 10' ' ' ILE . 22.3 mm -58.57 -41.4 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.33 -37.76 86.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.794 -0.567 . . . . 0.0 110.231 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -45.67 90.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.681 -0.637 . . . . 0.0 109.952 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -64.39 -37.64 88.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.467 -0.771 . . . . 0.0 109.455 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.07 -36.66 82.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.67 -0.644 . . . . 0.0 109.851 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 91.6 m -59.07 -43.62 91.78 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.593 -0.692 . . . . 0.0 109.519 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.85 -47.94 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.625 -0.672 . . . . 0.0 109.225 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -62.35 -39.06 91.9 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.666 -0.647 . . . . 0.0 109.739 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -63.67 -44.32 94.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.412 -0.805 . . . . 0.0 109.966 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.68 -37.58 65.93 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.8 -43.28 84.28 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.496 -0.752 . . . . 0.0 109.765 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -39.3 80.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.378 -0.826 . . . . 0.0 109.985 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.68 95.12 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.543 -0.723 . . . . 0.0 109.815 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.84 -40.54 83.7 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.456 -0.777 . . . . 0.0 109.987 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -62.88 -39.98 96.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.553 -0.717 . . . . 0.0 110.3 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -37.35 84.84 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.762 . . . . 0.0 109.981 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -70.25 -29.92 66.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.448 -0.782 . . . . 0.0 110.183 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -83.83 -52.02 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.366 -0.834 . . . . 0.0 110.027 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.501 2.09 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.823 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 120.747 0.308 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -58.22 -42.8 87.06 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.54 -0.725 . . . . 0.0 110.603 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.536 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.54 -42.12 91.61 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.39 -0.819 . . . . 0.0 110.135 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.0 92.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.456 -0.777 . . . . 0.0 110.099 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.7 98.45 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.49 -0.756 . . . . 0.0 110.388 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' X' ' 7' ' ' VAL . 0.0 OUTLIER -63.28 -33.22 75.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 179.25 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.536 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.6 t -64.45 -39.92 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 19.2 m -65.2 -37.34 87.01 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.596 -0.69 . . . . 0.0 109.557 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.63 85.49 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.731 -0.606 . . . . 0.0 110.24 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' X' ' 10' ' ' ILE . 17.9 mm -60.09 -40.2 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.42 -40.65 93.59 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.752 -0.592 . . . . 0.0 109.69 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 32.6 m -69.17 -43.51 74.11 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.789 -0.57 . . . . 0.0 109.642 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.1 m -61.33 -34.9 76.03 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.63 -0.668 . . . . 0.0 110.222 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mt -58.84 -35.92 73.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.627 -0.671 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.7 m -60.54 -45.23 94.62 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.459 -0.776 . . . . 0.0 109.97 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.2 -42.16 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.533 -0.729 . . . . 0.0 109.679 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -60.23 -39.9 88.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -0.816 . . . . 0.0 110.108 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -41.89 99.43 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.467 -0.771 . . . . 0.0 109.992 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -59.72 -42.42 93.03 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -65.54 -39.39 91.7 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -59.78 -37.64 79.63 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.544 -0.723 . . . . 0.0 109.706 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -45.8 91.89 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.595 -0.691 . . . . 0.0 109.411 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tt -58.61 -46.05 87.85 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.738 -0.601 . . . . 0.0 109.695 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -65.3 -40.51 93.89 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.597 -0.689 . . . . 0.0 109.7 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.77 -35.06 73.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.621 -0.674 . . . . 0.0 109.792 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -69.68 -33.49 72.63 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.516 -0.74 . . . . 0.0 109.585 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mm -75.7 -39.32 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.544 -0.722 . . . . 0.0 109.961 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.339 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 121.135 0.493 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . 0.718 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 4.3 m-20 -134.89 77.57 1.69 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.462 -0.774 . . . . 0.0 110.295 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -67.11 -48.11 69.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.269 -0.894 . . . . 0.0 110.574 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.4 96.35 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.506 -0.747 . . . . 0.0 110.415 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -64.78 -38.3 90.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.423 -0.798 . . . . 0.0 110.053 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' X' ' 6' ' ' ARG . 10.9 mmp_? -63.66 -35.7 81.42 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.218 -0.926 . . . . 0.0 109.378 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' X' ' 10' ' ' ILE . 91.8 t -63.09 -38.92 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -68.48 -36.47 78.99 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 109.559 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.69 88.25 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.792 -0.568 . . . . 0.0 110.336 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' X' ' 7' ' ' VAL . 41.7 mt -61.24 -41.34 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -39.95 90.42 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.17 0.509 . . . . 0.0 110.076 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.8 t -61.08 -44.28 97.6 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.729 -0.607 . . . . 0.0 110.092 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -62.92 -39.66 95.24 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.519 -0.738 . . . . 0.0 109.839 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -41.71 97.05 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.609 -0.682 . . . . 0.0 110.048 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 56.1 m -61.6 -41.44 97.44 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.575 -0.703 . . . . 0.0 109.987 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.03 -43.93 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.498 -0.751 . . . . 0.0 109.885 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 30.4 m -62.12 -40.57 96.36 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.506 -0.746 . . . . 0.0 110.163 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.59 -47.27 82.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.436 -0.79 . . . . 0.0 110.081 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' X' ' 19' ' ' LEU . 2.0 mm? -54.12 -39.78 66.73 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -40.7 94.42 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.825 -0.547 . . . . 0.0 109.672 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -62.65 -42.7 99.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.538 -0.726 . . . . 0.0 109.837 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -44.36 97.27 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.717 -0.614 . . . . 0.0 110.025 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.79 -42.27 88.68 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.84 -0.537 . . . . 0.0 110.091 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -63.33 -38.92 93.04 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.511 -0.743 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -34.52 78.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.51 -0.744 . . . . 0.0 110.067 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -69.29 -33.16 72.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.497 -0.752 . . . . 0.0 110.063 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 56.8 mt -80.39 -40.26 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 0.0 109.885 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.132 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.653 0.263 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 t0 56.74 53.54 8.21 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.43 0.633 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.428 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -65.67 -29.73 70.33 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.439 -0.788 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.16 78.92 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.354 -0.841 . . . . 0.0 110.699 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.57 90.87 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.318 -0.864 . . . . 0.0 109.901 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -37.23 82.49 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.368 -0.833 . . . . 0.0 109.35 178.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.0 t -62.8 -39.37 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -67.21 -37.27 83.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.517 -0.739 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.97 92.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.685 -0.634 . . . . 0.0 110.228 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.1 mt -59.48 -40.93 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.97 -38.85 86.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.66 -0.65 . . . . 0.0 110.241 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.1 t -58.65 -45.58 89.01 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.835 -0.54 . . . . 0.0 110.703 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -68.89 -36.52 78.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.476 -0.765 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.27 -46.4 88.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.434 -0.791 . . . . 0.0 110.151 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 28.2 m -63.0 -40.4 97.67 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.459 -0.776 . . . . 0.0 109.945 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.06 -42.24 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.398 -0.813 . . . . 0.0 109.329 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -69.05 -42.38 76.37 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.486 -0.759 . . . . 0.0 109.718 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -41.28 99.22 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.552 -0.717 . . . . 0.0 110.263 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -59.76 -40.14 87.18 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.37 -39.69 85.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.706 -0.621 . . . . 0.0 110.188 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -62.11 -44.72 96.04 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.454 -0.779 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -60.89 -46.99 88.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.644 -0.66 . . . . 0.0 109.883 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -61.4 -38.85 88.58 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -58.56 -41.42 85.6 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.551 -0.718 . . . . 0.0 110.178 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.95 -38.19 79.28 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 0.0 109.894 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -62.05 -32.03 72.5 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.48 -0.763 . . . . 0.0 110.11 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mt -78.86 -31.5 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.433 -0.792 . . . . 0.0 110.113 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.496 1.86 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.441 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.13 0.491 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -107.02 -42.42 4.9 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.476 -0.765 . . . . 0.0 110.783 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' HD2' ' X' ' 6' ' ' ARG . . . -64.57 -39.04 93.03 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.283 -0.886 . . . . 0.0 110.481 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.37 -39.97 73.79 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.649 -0.657 . . . . 0.0 110.429 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.77 80.09 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.391 -0.818 . . . . 0.0 110.056 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . 0.458 ' HD2' ' HA ' ' X' ' 3' ' ' ALA . 7.2 mtt180 -62.1 -37.85 86.64 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.339 -0.851 . . . . 0.0 109.305 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.11 -40.08 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.8 m -66.13 -36.57 83.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.651 -0.656 . . . . 0.0 109.932 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.79 93.74 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.73 -0.606 . . . . 0.0 110.263 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.86 -40.01 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.34 -39.69 92.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.699 -0.626 . . . . 0.0 109.495 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -33.2 69.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.879 -0.513 . . . . 0.0 109.87 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.4 m -62.88 -39.93 95.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.441 -0.787 . . . . 0.0 109.539 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.11 -44.23 80.48 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.737 -0.602 . . . . 0.0 110.267 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.6 p -66.85 -40.13 87.8 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.412 -0.805 . . . . 0.0 109.974 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.74 -41.7 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.431 -0.793 . . . . 0.0 109.398 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 56.1 m -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.427 -0.796 . . . . 0.0 109.499 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.19 93.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 109.733 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.22 -39.67 79.68 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.94 -40.77 95.52 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.638 -0.664 . . . . 0.0 109.7 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -58.93 -43.27 91.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.53 -0.731 . . . . 0.0 109.854 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.65 -40.47 92.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.57 -0.706 . . . . 0.0 109.773 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.57 -39.38 83.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.512 -0.743 . . . . 0.0 109.807 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . 0.715 ' HA ' HD12 ' X' ' 27' ' ' ILE . 0.3 OUTLIER -64.95 -39.9 94.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.674 -0.641 . . . . 0.0 109.538 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -35.37 79.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.659 . . . . 0.0 109.776 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -26.8 68.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.461 -0.775 . . . . 0.0 110.208 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' X' ' 24' ' ' HIS . 26.0 mt -82.21 -33.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.311 -0.868 . . . . 0.0 110.02 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.403 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.207 0.527 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -152.21 -176.4 5.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.476 -0.765 . . . . 0.0 110.324 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.474 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.46 -45.86 90.4 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.557 -0.714 . . . . 0.0 111.009 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.38 90.46 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.481 -0.762 . . . . 0.0 110.399 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.7 92.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.326 -0.859 . . . . 0.0 109.641 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.76 -35.99 81.61 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.423 -0.798 . . . . 0.0 109.165 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.8 t -63.91 -39.66 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.3 m -66.84 -36.89 83.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.539 -0.725 . . . . 0.0 109.732 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.82 95.61 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.796 -0.565 . . . . 0.0 110.111 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.4 mt -59.47 -40.3 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tt -64.52 -39.61 94.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.687 -0.633 . . . . 0.0 109.978 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -61.56 -42.5 98.93 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 8.0 t -67.43 -35.61 79.58 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.501 -0.749 . . . . 0.0 109.913 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -41.27 93.21 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.553 -0.717 . . . . 0.0 110.56 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -38.56 91.63 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.366 -0.834 . . . . 0.0 109.98 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 73.3 t -68.55 -42.14 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.331 -0.856 . . . . 0.0 109.482 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 89.8 m -64.48 -41.52 96.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.488 -0.757 . . . . 0.0 109.911 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.44 -41.06 96.77 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.359 -0.838 . . . . 0.0 110.497 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.44 -40.72 83.36 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . 0.896 ' HA ' HD23 ' X' ' 23' ' ' LEU . 6.8 tp -66.16 -39.96 90.16 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.713 -0.617 . . . . 0.0 109.855 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -65.53 -38.04 88.49 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.345 -0.847 . . . . 0.0 109.586 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -62.76 -46.32 88.59 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.657 -0.652 . . . . 0.0 110.23 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' X' ' 20' ' ' LEU . 0.3 OUTLIER -61.25 -34.78 75.7 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.633 -0.667 . . . . 0.0 109.937 179.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . 0.565 ' N ' ' HG ' ' X' ' 23' ' ' LEU . 4.8 t-80 -66.35 -39.69 89.33 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.259 -0.901 . . . . 0.0 109.556 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -33.77 76.15 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.676 . . . . 0.0 109.97 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -62.16 -38.74 90.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.469 -0.769 . . . . 0.0 109.733 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.663 HD12 ' O ' ' X' ' 23' ' ' LEU . 1.6 mp -84.65 -45.89 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.535 -0.728 . . . . 0.0 109.993 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.501 2.107 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.79 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.973 0.416 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 0.2 OUTLIER 55.85 82.28 0.11 Allowed 'General case' 0 N--CA 1.501 2.085 0 CA-C-O 121.346 0.593 . . . . 0.0 110.849 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.494 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -60.41 -38.63 84.63 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.51 -0.744 . . . . 0.0 110.444 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.75 99.67 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.549 -0.719 . . . . 0.0 109.977 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -63.62 -37.15 86.26 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.524 -0.735 . . . . 0.0 109.73 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.84 -36.61 81.7 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.404 -0.81 . . . . 0.0 109.294 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.603 ' HA ' HD12 ' X' ' 10' ' ' ILE . 88.2 t -62.59 -39.63 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . 0.502 ' HA ' HD12 ' X' ' 11' ' ' LEU . 9.2 m -67.08 -36.45 82.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.496 -0.753 . . . . 0.0 109.682 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.35 95.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.686 -0.633 . . . . 0.0 109.94 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' X' ' 7' ' ' VAL . 64.2 mt -57.26 -39.58 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' X' ' 8' ' ' THR . 26.6 mt -63.06 -39.98 96.33 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.718 -0.614 . . . . 0.0 109.715 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -35.39 79.6 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 120.279 -0.568 . . . . 0.0 109.652 179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 15.8 m -67.66 -33.85 75.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.393 -0.817 . . . . 0.0 109.603 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' X' ' 11' ' ' LEU . 1.6 mt -65.04 -44.85 87.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.58 -0.7 . . . . 0.0 110.17 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.8 p -67.63 -39.54 84.67 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.539 -0.726 . . . . 0.0 109.944 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.23 -47.68 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.409 -0.807 . . . . 0.0 109.385 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 96.4 m -64.92 -38.16 90.06 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -40.8 82.07 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.7 . . . . 0.0 109.776 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -58.62 -47.93 82.69 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -38.37 86.35 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.6 -36.13 71.33 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.752 -0.593 . . . . 0.0 109.862 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -41.96 90.19 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -40.86 97.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.644 -0.66 . . . . 0.0 109.417 178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -65.17 -40.12 93.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.443 -0.786 . . . . 0.0 110.048 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.46 -36.7 78.88 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.453 -0.779 . . . . 0.0 109.696 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.63 -39.75 73.51 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.66 -0.65 . . . . 0.0 110.072 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 mt -71.11 -43.46 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.502 -0.749 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.655 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.679 0.276 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . 0.561 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 3.9 m-20 56.49 64.83 1.57 Allowed 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.315 0.579 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.11 -46.62 64.43 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.289 -0.882 . . . . 0.0 109.927 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.32 96.87 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.581 -0.699 . . . . 0.0 110.038 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . 0.561 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -62.24 -37.78 86.71 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.493 -0.755 . . . . 0.0 109.711 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -37.8 86.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.583 -0.698 . . . . 0.0 109.402 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.72 -39.74 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 25.5 m -68.05 -36.24 79.56 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.632 -0.667 . . . . 0.0 109.758 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.22 96.88 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.72 -0.613 . . . . 0.0 110.306 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' X' ' 10' ' ' ILE . 19.6 mm -59.46 -41.38 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tt -66.4 -39.11 88.84 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.752 -0.593 . . . . 0.0 110.075 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.44 ' O ' HG23 ' X' ' 16' ' ' VAL . 7.0 t -59.86 -41.35 91.28 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.813 -0.554 . . . . 0.0 110.28 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -40.81 97.29 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.487 -0.758 . . . . 0.0 109.935 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -44.49 93.02 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.517 -0.74 . . . . 0.0 109.527 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 25.1 m -58.26 -40.76 82.65 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.762 -0.586 . . . . 0.0 110.118 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . 0.44 HG23 ' O ' ' X' ' 12' ' ' SER . 98.3 t -62.32 -43.89 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.517 -0.739 . . . . 0.0 109.935 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -40.92 99.2 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.455 -0.778 . . . . 0.0 110.088 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -43.88 93.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.548 -0.72 . . . . 0.0 110.2 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -38.85 74.16 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -38.87 90.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.595 -0.691 . . . . 0.0 109.65 178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -44.6 97.06 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.491 -0.756 . . . . 0.0 109.652 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -36.75 82.31 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.635 -0.666 . . . . 0.0 109.882 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . 0.455 ' O ' HG12 ' X' ' 27' ' ' ILE . 14.1 tp -64.59 -46.55 82.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.6 -0.688 . . . . 0.0 110.193 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -61.66 -39.32 90.94 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.521 -0.737 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -38.72 84.17 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.537 -0.727 . . . . 0.0 109.872 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -26.12 65.87 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.405 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.455 HG12 ' O ' ' X' ' 23' ' ' LEU . 34.9 mm -84.82 -52.15 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.289 -0.882 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.761 -179.64 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.051 0.453 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -149.68 50.21 0.94 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.51 -0.744 . . . . 0.0 110.417 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.479 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -75.41 -48.0 24.83 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.203 -0.936 . . . . 0.0 110.803 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.8 -49.2 78.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.551 -0.718 . . . . 0.0 110.852 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.16 -36.23 83.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.364 -0.835 . . . . 0.0 110.181 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.82 -38.76 86.53 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.414 -0.804 . . . . 0.0 109.478 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.479 HG23 ' O ' ' X' ' 3' ' ' ALA . 93.6 t -64.88 -39.69 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 88.5 m -67.27 -35.49 79.63 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.458 -0.776 . . . . 0.0 109.746 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.75 94.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.617 -0.677 . . . . 0.0 110.147 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.2 mm -61.97 -41.1 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -67.06 -39.56 86.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.779 -0.576 . . . . 0.0 109.784 178.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.446 ' O ' HG23 ' X' ' 16' ' ' VAL . 4.6 m -59.87 -40.27 88.06 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.811 -0.555 . . . . 0.0 110.222 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -61.3 -41.58 97.21 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.47 -42.49 98.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.639 -0.663 . . . . 0.0 109.909 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -60.98 -41.39 96.35 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.484 -0.76 . . . . 0.0 109.994 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 12' ' ' SER . 87.5 t -60.29 -44.03 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.588 -0.695 . . . . 0.0 109.834 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.424 ' HA ' HD12 ' X' ' 20' ' ' LEU . 42.9 m -59.23 -43.89 92.35 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.35 -0.844 . . . . 0.0 109.644 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -65.96 -42.75 89.55 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.569 -0.707 . . . . 0.0 109.988 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -38.89 69.14 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' X' ' 17' ' ' THR . 13.9 mt -65.73 -41.05 92.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.681 -0.637 . . . . 0.0 109.662 178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -46.29 70.79 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -0.76 . . . . 0.0 109.761 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.93 -44.83 91.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.85 -39.14 88.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.459 -0.776 . . . . 0.0 110.128 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . 0.415 ' O ' HG22 ' X' ' 27' ' ' ILE . 58.4 t-80 -64.58 -41.82 96.03 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.427 -0.796 . . . . 0.0 109.82 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.02 -35.23 77.95 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.449 -0.782 . . . . 0.0 109.867 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -69.95 -35.19 74.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.547 -0.72 . . . . 0.0 110.259 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.415 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.6 OUTLIER -78.27 -28.73 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 0.0 110.722 -179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.496 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 121.019 0.438 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -99.42 -57.87 2.06 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.508 -0.745 . . . . 0.0 110.431 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.466 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -61.75 -30.84 71.05 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.499 -0.751 . . . . 0.0 111.07 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.56 81.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.345 -0.847 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.27 91.86 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.301 -0.874 . . . . 0.0 110.143 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.01 -35.82 79.68 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.34 -0.85 . . . . 0.0 109.414 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' X' ' 10' ' ' ILE . 80.3 t -63.68 -39.38 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -66.8 -36.45 82.42 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.634 -0.666 . . . . 0.0 109.937 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.34 95.93 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.553 -0.717 . . . . 0.0 109.872 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.4 mt -61.51 -40.14 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -39.17 92.92 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.172 0.51 . . . . 0.0 110.242 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -58.49 -45.47 88.63 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.742 -0.599 . . . . 0.0 109.772 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -63.76 -35.55 80.95 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.562 -0.711 . . . . 0.0 109.195 178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -35.9 81.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -55.9 -46.39 78.37 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.553 -0.717 . . . . 0.0 109.946 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.29 -45.52 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.49 -0.756 . . . . 0.0 109.422 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -65.63 -38.48 89.52 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.545 -0.722 . . . . 0.0 109.601 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -40.69 81.1 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.692 -0.63 . . . . 0.0 109.878 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.14 -41.05 78.37 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -40.3 94.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.857 -0.527 . . . . 0.0 109.762 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.86 -39.92 82.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.453 -0.779 . . . . 0.0 109.603 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.9 -49.91 75.54 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.653 -0.654 . . . . 0.0 109.335 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.38 -41.42 80.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.932 -0.48 . . . . 0.0 110.035 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . 0.464 ' HA ' HD12 ' X' ' 27' ' ' ILE . 13.1 m170 -58.84 -41.42 86.87 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.643 -0.661 . . . . 0.0 109.984 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -65.72 -37.09 85.46 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.622 -0.674 . . . . 0.0 110.218 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -63.67 -30.21 71.35 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.382 -0.824 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' X' ' 24' ' ' HIS . 25.7 mt -79.69 -34.84 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.373 -0.829 . . . . 0.0 110.271 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 117.842 -1.075 . . . . 0.0 110.512 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.131 0.491 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.93 -47.87 84.42 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.692 -0.63 . . . . 0.0 110.684 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.446 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -58.27 -43.84 88.12 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.494 -0.754 . . . . 0.0 110.333 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.62 97.07 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.606 -0.684 . . . . 0.0 110.278 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.85 97.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.303 -0.873 . . . . 0.0 109.93 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -36.51 81.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.389 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.446 HG23 ' O ' ' X' ' 3' ' ' ALA . 95.4 t -63.25 -39.88 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . 0.545 ' HA ' HD12 ' X' ' 11' ' ' LEU . 29.8 m -65.16 -37.19 86.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.87 92.2 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.681 -0.637 . . . . 0.0 110.147 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.1 -39.9 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.2 mt -64.45 -39.41 93.77 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.713 -0.617 . . . . 0.0 110.225 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -59.58 -44.16 93.43 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.819 -0.551 . . . . 0.0 109.908 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -70.41 -35.78 73.63 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 110.278 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.7 -41.56 86.57 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.457 -0.777 . . . . 0.0 110.435 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -68.23 -42.89 79.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.513 -0.742 . . . . 0.0 110.208 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.46 -44.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.503 -0.748 . . . . 0.0 109.867 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.37 -36.71 83.13 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.54 -0.725 . . . . 0.0 110.345 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.32 -40.16 70.82 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.515 -0.741 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -41.98 84.59 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 tp -67.5 -39.23 85.15 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.308 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -39.84 77.55 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.612 -0.68 . . . . 0.0 110.135 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 mtt85 -61.32 -45.55 93.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.517 -0.74 . . . . 0.0 109.541 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.36 -38.2 90.25 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.687 -0.633 . . . . 0.0 109.869 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -58.42 -42.48 87.33 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.653 -0.654 . . . . 0.0 110.012 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -35.56 80.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.576 -0.703 . . . . 0.0 109.907 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -65.48 -32.48 74.12 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.421 -0.799 . . . . 0.0 109.96 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mt -79.04 -48.02 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.35 -0.843 . . . . 0.0 109.988 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.288 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.267 0.556 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -161.27 -176.71 5.57 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.562 -0.711 . . . . 0.0 110.26 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.57 84.98 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.606 -0.684 . . . . 0.0 110.987 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.98 89.02 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.483 -0.76 . . . . 0.0 110.169 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.95 -37.93 86.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.435 -0.791 . . . . 0.0 109.836 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -63.2 -35.34 80.0 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.371 -0.831 . . . . 0.0 109.269 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' X' ' 10' ' ' ILE . 87.5 t -64.7 -40.08 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . 0.507 ' HA ' HD12 ' X' ' 11' ' ' LEU . 24.4 m -67.16 -36.08 81.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.651 -0.656 . . . . 0.0 109.686 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.01 97.09 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.698 -0.626 . . . . 0.0 110.261 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' X' ' 7' ' ' VAL . 36.4 mt -59.11 -39.93 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' X' ' 8' ' ' THR . 28.5 mt -65.9 -38.43 88.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.704 -0.622 . . . . 0.0 110.179 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -60.07 -45.56 92.49 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.684 -0.635 . . . . 0.0 110.318 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 51.6 p -70.24 -34.8 73.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.441 -0.787 . . . . 0.0 110.299 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.69 -45.87 90.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.348 -0.845 . . . . 0.0 110.129 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 85.3 m -60.32 -40.1 89.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.649 -0.657 . . . . 0.0 109.793 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.84 -42.25 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.499 -0.75 . . . . 0.0 109.704 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -63.08 -39.07 93.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.443 -0.786 . . . . 0.0 109.884 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -40.5 88.79 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.439 -0.788 . . . . 0.0 110.07 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -59.47 -46.33 89.09 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.26 -37.88 86.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.73 -0.606 . . . . 0.0 109.419 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -57.68 -47.61 81.85 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.671 -0.643 . . . . 0.0 109.942 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -63.02 -41.36 99.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.611 -0.681 . . . . 0.0 110.111 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . 0.403 ' O ' HG12 ' X' ' 27' ' ' ILE . 3.7 tt -58.06 -45.38 87.15 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.587 -0.696 . . . . 0.0 109.629 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -65.17 -39.51 93.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.695 -0.628 . . . . 0.0 110.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -58.88 -37.64 77.03 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.457 -0.777 . . . . 0.0 109.927 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -70.57 -30.76 67.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.403 HG12 ' O ' ' X' ' 23' ' ' LEU . 31.9 mm -80.47 -40.94 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.372 -0.83 . . . . 0.0 110.326 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.448 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 120.838 0.352 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.65 -52.17 2.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.42 -0.8 . . . . 0.0 110.175 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.444 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -59.49 -45.63 91.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.49 -0.756 . . . . 0.0 110.309 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.28 91.85 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.621 -0.674 . . . . 0.0 110.22 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.47 97.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.532 -0.73 . . . . 0.0 109.969 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -62.42 -35.84 80.5 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.429 -0.794 . . . . 0.0 109.565 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' X' ' 10' ' ' ILE . 93.9 t -63.0 -40.04 87.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.5 m -66.2 -37.34 85.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.572 -0.705 . . . . 0.0 109.641 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.751 -0.593 . . . . 0.0 110.355 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' X' ' 7' ' ' VAL . 58.7 mt -59.35 -40.75 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -64.81 -40.47 95.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.669 -0.644 . . . . 0.0 109.779 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t -68.56 -41.58 79.57 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -61.83 -34.43 75.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.589 -0.695 . . . . 0.0 110.125 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -40.23 82.08 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.555 -0.716 . . . . 0.0 109.694 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -60.02 -42.37 94.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.567 -0.708 . . . . 0.0 109.48 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.17 -43.93 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.663 -0.648 . . . . 0.0 109.672 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.5 m -60.9 -40.72 94.2 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.537 -0.727 . . . . 0.0 110.201 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -40.22 94.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.45 -0.782 . . . . 0.0 110.226 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.2 OUTLIER -60.1 -40.92 91.34 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.76 -39.94 91.54 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.736 -0.603 . . . . 0.0 109.689 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -44.34 97.4 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.57 -0.706 . . . . 0.0 109.654 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -42.12 97.07 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.649 -0.657 . . . . 0.0 110.003 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.79 -44.65 96.55 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.636 -0.665 . . . . 0.0 109.821 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -65.16 -38.64 91.22 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.594 -0.691 . . . . 0.0 109.88 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -62.34 -36.15 81.34 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.634 -0.666 . . . . 0.0 109.962 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -30.33 67.77 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.404 -0.81 . . . . 0.0 109.989 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 49.5 mt -83.5 -37.75 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.421 -0.8 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.361 -179.833 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 120.698 0.285 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.64 55.35 5.63 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.701 -0.625 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.484 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -65.36 -30.41 71.23 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.354 -0.841 . . . . 0.0 110.442 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.36 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.508 -0.745 . . . . 0.0 110.267 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.82 98.63 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.468 -0.77 . . . . 0.0 110.197 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.76 -35.53 80.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.308 -0.87 . . . . 0.0 109.329 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' X' ' 10' ' ' ILE . 90.4 t -64.04 -39.54 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 64.4 m -66.89 -36.56 82.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.535 -0.728 . . . . 0.0 109.788 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.71 -0.619 . . . . 0.0 109.983 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' X' ' 7' ' ' VAL . 67.6 mt -58.27 -41.32 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -38.53 89.02 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.862 -0.524 . . . . 0.0 110.381 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -57.89 -41.36 82.37 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.681 -0.637 . . . . 0.0 110.234 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -70.31 -34.9 73.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.283 -0.885 . . . . 0.0 109.607 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mt -65.03 -44.05 90.41 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.644 -0.66 . . . . 0.0 110.667 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 19.5 p -65.54 -40.3 92.72 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.456 -0.777 . . . . 0.0 110.552 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 47.5 t -58.84 -45.16 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.429 -0.794 . . . . 0.0 109.676 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 93.0 m -65.11 -44.58 88.28 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.483 -0.761 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -64.19 -39.02 93.1 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.404 -0.81 . . . . 0.0 110.138 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.57 -40.93 80.08 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.8 mm? -65.63 -41.44 92.66 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.602 -0.686 . . . . 0.0 109.537 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -68.28 -41.55 80.85 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.444 -0.785 . . . . 0.0 109.647 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -47.57 85.42 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.697 -0.627 . . . . 0.0 110.115 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -58.31 -39.27 78.93 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -64.52 -42.33 95.83 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 110.161 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.25 -40.47 97.5 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.5 -0.75 . . . . 0.0 110.02 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -67.11 -27.12 67.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.552 -0.718 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.57 -40.79 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.379 -0.826 . . . . 0.0 109.758 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.496 1.875 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.412 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 120.919 0.39 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.67 176.7 5.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.364 -0.835 . . . . 0.0 110.286 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.475 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -62.83 -45.62 91.75 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.542 -0.724 . . . . 0.0 110.206 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.32 93.91 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.552 -0.717 . . . . 0.0 110.152 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.27 90.44 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.421 -0.799 . . . . 0.0 110.004 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -36.17 82.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.379 -0.825 . . . . 0.0 109.35 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.475 HG23 ' O ' ' X' ' 3' ' ' ALA . 99.5 t -63.66 -39.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 58.9 m -67.18 -36.91 82.75 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.524 -0.735 . . . . 0.0 109.859 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.79 -40.7 88.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.655 -0.653 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' X' ' 10' ' ' ILE . 19.1 mm -60.97 -39.1 81.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.6 -38.11 89.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.703 -0.623 . . . . 0.0 109.831 178.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.491 ' O ' HG22 ' X' ' 15' ' ' THR . 1.6 t -63.56 -44.66 93.51 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.834 -0.541 . . . . 0.0 110.564 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.2 p -72.87 -33.37 66.03 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.133 -0.979 . . . . 0.0 110.394 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.43 -46.01 88.31 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.4 -0.812 . . . . 0.0 110.792 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . 0.491 HG22 ' O ' ' X' ' 12' ' ' SER . 9.9 t -67.82 -36.25 80.07 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.439 -0.788 . . . . 0.0 110.697 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.95 -45.69 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.263 -0.898 . . . . 0.0 110.144 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 19.2 m -64.52 -40.15 95.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.374 -0.829 . . . . 0.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -63.29 -42.81 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.347 -0.845 . . . . 0.0 110.194 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.85 -41.6 78.22 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -39.92 89.84 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.724 -0.61 . . . . 0.0 109.723 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -43.0 93.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -60.7 -47.73 84.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.605 -0.684 . . . . 0.0 109.42 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . 0.437 ' O ' HG12 ' X' ' 27' ' ' ILE . 1.1 tt -59.82 -40.33 88.09 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 122.009 -0.432 . . . . 0.0 110.086 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -43.49 98.77 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.575 -0.703 . . . . 0.0 109.944 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -60.2 -34.9 74.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 109.608 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -67.33 -27.29 67.02 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.513 -0.742 . . . . 0.0 110.067 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.437 HG12 ' O ' ' X' ' 23' ' ' LEU . 41.2 mm -83.83 -42.92 17.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.431 -0.793 . . . . 0.0 110.171 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 117.699 -1.143 . . . . 0.0 110.823 -179.769 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.002 0.43 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -62.39 -55.49 27.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.559 -0.713 . . . . 0.0 110.196 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.79 -38.86 67.8 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.581 -0.7 . . . . 0.0 110.317 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.2 96.76 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.579 -0.7 . . . . 0.0 109.778 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.64 78.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.478 -0.764 . . . . 0.0 109.695 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -65.0 -36.98 86.15 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.451 -0.781 . . . . 0.0 109.103 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' X' ' 10' ' ' ILE . 94.2 t -63.36 -39.11 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -67.78 -37.92 82.69 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.611 -0.681 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.45 98.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.688 -0.632 . . . . 0.0 110.295 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.41 -39.95 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.79 -38.69 92.04 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.76 -0.588 . . . . 0.0 110.127 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -59.55 -43.78 93.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.791 -0.568 . . . . 0.0 110.14 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 2.9 m -73.52 -34.49 65.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 109.978 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -43.8 94.13 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.505 -0.747 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -39.75 93.86 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.334 -0.854 . . . . 0.0 109.865 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.0 t -60.13 -42.17 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 0.0 109.372 179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 9.7 m -65.23 -39.57 92.91 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.54 -0.725 . . . . 0.0 109.824 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -38.48 91.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.408 -0.807 . . . . 0.0 110.031 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.25 -41.17 88.16 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -39.41 93.46 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.678 -0.639 . . . . 0.0 109.538 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -60.04 -46.16 90.44 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.522 -0.736 . . . . 0.0 109.605 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -59.96 -40.79 90.26 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.73 -0.607 . . . . 0.0 110.005 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.76 -43.0 99.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.639 -0.663 . . . . 0.0 109.83 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -62.67 -39.57 94.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.502 -0.749 . . . . 0.0 109.961 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -65.99 -36.12 82.43 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.484 -0.76 . . . . 0.0 110.115 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -65.36 -33.66 76.48 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.509 -0.745 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -79.34 -29.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.44 -0.787 . . . . 0.0 110.281 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.56 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 121.283 0.563 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.71 -51.61 1.15 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.356 -0.84 . . . . 0.0 110.666 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.427 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -61.04 -51.02 70.95 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.439 -0.788 . . . . 0.0 110.375 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.61 95.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.528 -0.732 . . . . 0.0 110.341 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -42.22 99.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.365 -0.834 . . . . 0.0 110.036 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -36.04 78.95 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.491 -0.756 . . . . 0.0 109.629 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' X' ' 10' ' ' ILE . 83.9 t -63.36 -39.22 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 30.8 m -67.83 -36.93 81.22 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.525 -0.734 . . . . 0.0 109.803 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.5 94.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.685 -0.634 . . . . 0.0 110.12 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.6 mt -57.99 -41.6 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.66 -40.54 88.67 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.29 0.567 . . . . 0.0 109.951 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 20.7 m -60.56 -43.44 97.26 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.785 -0.572 . . . . 0.0 109.839 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 71.6 m -61.74 -39.28 91.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.575 -0.703 . . . . 0.0 109.317 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -42.87 99.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.598 -0.688 . . . . 0.0 109.438 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 90.9 m -53.66 -42.4 67.85 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.655 -0.653 . . . . 0.0 109.791 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' X' ' 19' ' ' LEU . 97.4 t -65.47 -44.36 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.567 -0.708 . . . . 0.0 109.468 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.0 m -66.18 -39.34 89.65 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.528 -0.733 . . . . 0.0 109.684 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -41.08 81.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.645 -0.659 . . . . 0.0 110.024 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.4 mt -58.92 -47.39 85.19 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -38.49 88.49 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ttp85 -57.99 -40.44 80.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.662 -0.649 . . . . 0.0 110.099 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -65.9 -45.49 81.78 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.553 -0.717 . . . . 0.0 109.619 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -57.99 -42.44 85.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.72 -0.612 . . . . 0.0 109.837 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -65.27 -39.42 92.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.042 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.43 -36.42 78.14 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 109.946 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -70.01 -33.21 71.72 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.642 -0.662 . . . . 0.0 109.929 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' X' ' 28' ' ' SER . 72.4 mt -76.06 -31.41 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.387 -0.821 . . . . 0.0 110.614 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' X' ' 27' ' ' ILE . 58.3 m . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.605 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 120.922 0.391 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -147.01 49.61 1.12 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.426 -0.796 . . . . 0.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.472 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -52.22 -44.54 64.86 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.396 -0.815 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.46 98.63 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.442 -0.786 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.36 90.75 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.497 -0.752 . . . . 0.0 110.031 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -62.96 -36.56 83.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.393 -0.817 . . . . 0.0 109.442 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.472 HG23 ' O ' ' X' ' 3' ' ' ALA . 76.8 t -62.99 -39.87 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -65.35 -36.89 85.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.589 -0.694 . . . . 0.0 109.567 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.1 95.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.73 -0.606 . . . . 0.0 110.07 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.34 -39.72 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' X' ' 14' ' ' LEU . 13.7 tp -64.22 -40.11 95.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.656 -0.653 . . . . 0.0 109.325 178.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.1 m -68.57 -40.81 80.43 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m -58.41 -36.02 72.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.744 -0.597 . . . . 0.0 109.974 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' X' ' 11' ' ' LEU . 2.4 mt -59.38 -43.99 92.84 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.495 -0.753 . . . . 0.0 109.698 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -60.81 -41.02 94.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.678 -0.639 . . . . 0.0 109.513 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.86 -43.38 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 0.0 109.703 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 23.8 m -60.53 -44.53 95.97 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.537 -0.727 . . . . 0.0 109.738 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.63 -40.37 83.18 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.891 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' X' ' 19' ' ' LEU . 0.4 OUTLIER -55.29 -41.66 72.6 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -39.59 91.81 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.728 -0.608 . . . . 0.0 109.981 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -48.28 81.96 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.469 -0.77 . . . . 0.0 110.032 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -39.21 93.79 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.574 -0.704 . . . . 0.0 110.158 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' X' ' 23' ' ' LEU . 0.1 OUTLIER -60.12 -41.85 93.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.429 -0.794 . . . . 0.0 109.745 179.24 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -65.48 -38.94 91.25 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.608 -0.683 . . . . 0.0 109.827 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.7 -38.14 89.25 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.645 -0.659 . . . . 0.0 109.981 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -33.71 71.79 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.471 -0.768 . . . . 0.0 110.796 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -83.78 -50.23 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.33 -0.856 . . . . 0.0 110.175 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.881 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.75 0.31 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.17 89.86 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 121.405 0.621 . . . . 0.0 111.365 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.26 -37.13 69.38 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.4 -0.812 . . . . 0.0 110.134 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.69 88.52 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.691 -0.63 . . . . 0.0 109.974 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.98 87.99 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.491 -0.755 . . . . 0.0 109.737 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.82 -37.61 87.45 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.409 -0.807 . . . . 0.0 109.24 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' X' ' 10' ' ' ILE . 98.6 t -62.07 -40.05 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -67.33 -36.36 81.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.12 94.49 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.621 -0.675 . . . . 0.0 110.225 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.573 HD12 ' HA ' ' X' ' 7' ' ' VAL . 52.5 mt -59.26 -41.18 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' X' ' 11' ' ' LEU . 0.1 OUTLIER -65.78 -39.44 91.0 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.773 -0.58 . . . . 0.0 109.684 178.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -59.27 -37.38 77.49 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.864 -0.523 . . . . 0.0 109.846 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -61.04 -44.7 97.01 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.655 -0.653 . . . . 0.0 109.606 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -42.26 99.51 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.667 -0.646 . . . . 0.0 109.75 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -56.45 -41.72 76.95 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.648 -0.658 . . . . 0.0 109.724 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 51.2 t -62.84 -42.26 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.51 -0.744 . . . . 0.0 109.764 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -61.27 -38.98 88.69 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.425 -0.797 . . . . 0.0 109.573 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -39.92 95.75 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.118 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.18 -41.79 93.63 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.83 -39.56 90.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.713 -0.617 . . . . 0.0 109.994 179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -44.7 94.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.407 -0.808 . . . . 0.0 110.063 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -42.42 79.78 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.582 -0.699 . . . . 0.0 110.123 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 tp -56.08 -35.17 66.69 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.649 -0.657 . . . . 0.0 110.655 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -56.16 -39.91 73.07 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.618 -0.676 . . . . 0.0 110.017 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 -37.72 78.23 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.666 -0.646 . . . . 0.0 110.196 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -32.29 73.94 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.495 -0.753 . . . . 0.0 110.317 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -76.85 -34.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.255 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.497 1.882 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.401 179.959 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.137 0.494 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -165.95 -52.24 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.573 -0.705 . . . . 0.0 110.523 -179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.463 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -54.78 -42.19 71.46 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.506 -0.746 . . . . 0.0 110.956 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.98 99.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.539 -0.726 . . . . 0.0 110.29 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.76 88.65 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.455 -0.778 . . . . 0.0 109.915 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 -62.81 -35.15 78.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.337 -0.852 . . . . 0.0 109.31 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.463 HG23 ' O ' ' X' ' 3' ' ' ALA . 73.7 t -62.28 -40.11 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 17.1 m -67.34 -36.81 82.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.703 -0.623 . . . . 0.0 109.887 178.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.71 89.69 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.728 -0.608 . . . . 0.0 110.118 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' X' ' 7' ' ' VAL . 47.5 mt -58.95 -42.38 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.705 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -67.37 -41.46 85.02 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.478 0.656 . . . . 0.0 109.571 178.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.465 ' O ' HG23 ' X' ' 16' ' ' VAL . 29.1 m -63.34 -41.43 98.86 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.877 -0.515 . . . . 0.0 110.039 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -67.69 -33.53 75.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.4 -0.813 . . . . 0.0 109.989 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -48.91 73.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.579 -0.701 . . . . 0.0 110.101 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -58.78 -39.32 80.68 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.504 -0.748 . . . . 0.0 109.884 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . 0.465 HG23 ' O ' ' X' ' 12' ' ' SER . 86.5 t -61.41 -42.26 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.45 -0.781 . . . . 0.0 109.24 178.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -64.91 -40.03 94.44 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 109.673 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -60.44 -44.1 96.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.581 -0.7 . . . . 0.0 110.324 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -41.93 82.48 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -39.22 90.13 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.667 -0.646 . . . . 0.0 109.836 178.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -42.89 99.46 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.436 -0.79 . . . . 0.0 110.031 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -63.09 -41.92 99.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.843 179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.4 -38.26 88.98 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.527 -0.733 . . . . 0.0 109.998 179.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . 0.569 ' O ' HG22 ' X' ' 27' ' ' ILE . 3.8 t-80 -65.65 -39.71 91.68 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.573 -0.705 . . . . 0.0 110.37 179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -35.18 75.42 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.271 -0.893 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -28.23 64.57 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.533 -0.729 . . . . 0.0 110.847 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . 0.569 HG22 ' O ' ' X' ' 24' ' ' HIS . 0.1 OUTLIER -73.48 -30.1 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.319 -0.863 . . . . 0.0 110.577 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.142 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.989 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.03 0.443 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -106.98 -37.24 6.38 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.616 -0.677 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.483 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -66.89 -49.9 64.13 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.249 -0.907 . . . . 0.0 110.525 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.8 90.15 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.505 -0.747 . . . . 0.0 110.343 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.63 99.6 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.548 -0.72 . . . . 0.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -35.75 78.91 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.335 -0.853 . . . . 0.0 109.398 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.483 HG23 ' O ' ' X' ' 3' ' ' ALA . 98.9 t -62.54 -39.15 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.326 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 24.9 m -65.84 -37.54 86.48 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.585 -0.697 . . . . 0.0 109.798 178.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.53 88.15 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.627 -0.671 . . . . 0.0 110.097 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.506 HG22 HD12 ' X' ' 14' ' ' LEU . 18.5 mm -59.63 -39.17 78.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' X' ' 15' ' ' THR . 43.6 tp -64.38 -38.72 92.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.576 -0.703 . . . . 0.0 109.774 178.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -60.14 -45.97 91.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.726 -0.609 . . . . 0.0 110.041 179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 29.8 p -74.7 -32.89 62.31 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.222 -0.924 . . . . 0.0 110.017 179.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.506 HD12 HG22 ' X' ' 10' ' ' ILE . 3.7 mt -58.99 -41.94 88.83 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.527 -0.733 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . 0.468 HG23 ' O ' ' X' ' 11' ' ' LEU . 75.6 p -60.32 -41.46 93.56 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.371 -0.831 . . . . 0.0 109.826 179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.02 -42.2 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.611 -0.681 . . . . 0.0 109.384 179.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -63.08 -40.02 96.42 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.593 -0.692 . . . . 0.0 109.718 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -39.63 90.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.695 . . . . 0.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.51 -44.02 89.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -40.27 87.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.8 -0.563 . . . . 0.0 109.56 178.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.45 94.51 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.61 -0.681 . . . . 0.0 110.01 179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -43.6 98.47 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.551 -0.718 . . . . 0.0 109.812 179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -40.69 89.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.672 -0.643 . . . . 0.0 109.909 179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -64.22 -41.51 97.0 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.602 -0.686 . . . . 0.0 109.96 179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -61.55 -34.82 76.22 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 0.0 110.021 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -32.53 72.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.519 -0.738 . . . . 0.0 109.873 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 39.2 mt -83.7 -46.01 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.43 -0.794 . . . . 0.0 110.052 179.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.314 -179.914 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.46 178.25 7.28 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.516 -0.74 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.437 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -60.09 -44.12 95.04 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.592 -0.692 . . . . 0.0 110.044 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.97 91.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.638 -0.664 . . . . 0.0 110.094 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.18 96.17 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.828 . . . . 0.0 109.941 179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -61.68 -36.2 80.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.423 -0.798 . . . . 0.0 109.391 178.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.699 ' HA ' HD12 ' X' ' 10' ' ' ILE . 99.0 t -63.7 -39.9 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -66.46 -36.98 84.12 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.509 -0.744 . . . . 0.0 109.727 178.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.34 96.65 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.624 -0.672 . . . . 0.0 110.211 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' X' ' 7' ' ' VAL . 48.5 mt -60.03 -41.23 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.73 -38.17 88.43 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.76 -0.587 . . . . 0.0 109.973 178.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -61.73 -33.11 73.46 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.849 -0.532 . . . . 0.0 110.304 179.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -37.61 78.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.291 -0.88 . . . . 0.0 109.374 179.097 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -47.14 74.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.637 -0.664 . . . . 0.0 110.476 179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 21.5 p -58.01 -39.11 77.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.405 -0.809 . . . . 0.0 110.019 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.76 -42.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 32.5 m -62.53 -44.11 97.15 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.457 -0.777 . . . . 0.0 109.489 179.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -39.54 93.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.568 -0.707 . . . . 0.0 109.775 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.528 ' HA ' ' HD3' ' X' ' 22' ' ' ARG . 7.9 mt -57.85 -37.95 74.79 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.029 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.33 -40.34 95.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.568 -0.708 . . . . 0.0 109.094 178.595 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -63.85 -37.46 87.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.573 -0.705 . . . . 0.0 109.628 178.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.528 ' HD3' ' HA ' ' X' ' 19' ' ' LEU . 22.3 mtp180 -60.58 -48.49 81.53 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.455 -0.778 . . . . 0.0 109.595 179.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.74 -39.17 90.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.635 -0.666 . . . . 0.0 109.673 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -63.72 -45.06 91.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 0.0 109.862 179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.13 -39.99 88.19 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.695 -0.628 . . . . 0.0 109.984 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -58.3 -36.75 73.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.507 -0.746 . . . . 0.0 109.917 179.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 15.9 mt -84.28 -45.61 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.461 -0.774 . . . . 0.0 109.681 179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.229 179.878 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 22.2 t70 -140.64 139.46 34.85 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.397 -0.815 . . . . 0.0 110.152 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.476 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -67.74 -47.35 69.52 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.501 -0.75 . . . . 0.0 110.836 -179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.39 98.24 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.27 -0.894 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -65.26 -38.85 91.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.446 -0.784 . . . . 0.0 110.207 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -62.07 -36.24 81.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.349 -0.844 . . . . 0.0 109.626 179.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' X' ' 10' ' ' ILE . 74.1 t -63.85 -40.13 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 178.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 27.7 m -70.68 -36.07 73.13 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 109.906 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.87 92.0 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.709 -0.619 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' X' ' 7' ' ' VAL . 51.8 mt -57.36 -41.69 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.287 179.324 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -38.15 86.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.592 -0.692 . . . . 0.0 110.023 179.014 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 70.8 m -64.71 -46.6 81.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.714 -0.616 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 11.2 p -64.86 -34.35 78.18 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.218 -0.926 . . . . 0.0 110.597 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.58 -46.75 86.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.347 -0.846 . . . . 0.0 110.095 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.2 -37.11 80.55 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.526 -0.734 . . . . 0.0 110.206 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 40.0 t -61.76 -46.26 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.283 -0.885 . . . . 0.0 110.154 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -63.25 -41.14 99.03 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.277 -0.889 . . . . 0.0 110.301 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.84 -39.38 94.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.293 -0.879 . . . . 0.0 110.149 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.99 -39.2 94.03 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' X' ' 20' ' ' LEU . 1.9 mm? -66.01 -39.53 90.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.791 -0.568 . . . . 0.0 109.968 178.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.39 -44.67 95.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.368 -0.833 . . . . 0.0 109.784 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -42.76 88.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.622 -0.674 . . . . 0.0 110.023 179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tp -68.81 -35.53 77.11 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.788 . . . . 0.0 110.46 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -40.0 74.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.29 -0.881 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.53 -43.26 99.19 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.356 -0.84 . . . . 0.0 109.202 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -70.59 -31.73 68.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.624 -0.673 . . . . 0.0 109.863 178.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 17.8 mm -74.67 -52.8 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.154 179.834 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.925 -179.816 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.497 1.879 0 CA-C-O 120.966 0.412 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -100.0 -56.06 2.47 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.528 -0.732 . . . . 0.0 110.322 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.455 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -57.92 -33.19 68.51 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.541 -0.725 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.05 77.99 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.502 -0.749 . . . . 0.0 110.572 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.6 98.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.398 -0.814 . . . . 0.0 110.106 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -61.89 -35.59 78.8 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.408 178.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.455 HG23 ' O ' ' X' ' 3' ' ' ALA . 67.7 t -63.05 -39.78 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -64.84 -37.91 89.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.575 -0.703 . . . . 0.0 109.723 178.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.44 89.53 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.735 -0.603 . . . . 0.0 110.24 179.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . . . . . . . . . 21.5 mm -59.69 -40.98 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -39.8 94.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 178.67 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 60.9 m -59.71 -37.69 79.56 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.777 -0.577 . . . . 0.0 109.64 179.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -62.09 -41.78 98.54 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.611 -0.681 . . . . 0.0 109.275 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -38.88 92.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.727 -0.608 . . . . 0.0 109.755 179.151 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 31.4 m -59.79 -42.3 93.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.52 -0.737 . . . . 0.0 109.545 179.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.45 -42.21 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -63.98 -38.79 92.36 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.578 -0.701 . . . . 0.0 110.016 179.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.35 -40.98 96.27 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.407 -0.808 . . . . 0.0 110.255 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -39.41 77.7 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.715 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -40.11 91.55 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.643 -0.66 . . . . 0.0 109.574 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -60.35 -44.36 95.63 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.415 -0.803 . . . . 0.0 109.642 179.296 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -39.85 91.37 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 109.777 179.026 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.24 -43.23 92.4 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.568 -0.707 . . . . 0.0 109.809 179.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -65.82 -39.13 90.56 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.91 -35.76 79.33 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.443 -0.786 . . . . 0.0 110.168 179.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -69.85 -34.45 73.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.533 -0.73 . . . . 0.0 109.948 179.312 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mt -78.95 -49.26 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.531 -0.73 . . . . 0.0 110.081 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.505 2.313 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.537 179.963 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . 0.408 ' O ' ' C ' ' X' ' 2' ' ' ASP . 22.0 m . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 120.782 0.325 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' X' ' 1' ' ' SER . 2.9 p-10 31.77 52.46 0.21 Allowed 'General case' 0 N--CA 1.508 2.463 0 CA-C-O 121.451 0.643 . . . . 0.0 112.197 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.57 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -69.05 -33.06 72.99 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.286 -0.884 . . . . 0.0 110.547 179.651 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.49 81.24 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.475 -0.765 . . . . 0.0 110.269 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.6 87.67 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.392 -0.818 . . . . 0.0 109.943 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -36.53 80.5 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.51 -0.744 . . . . 0.0 109.444 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.1 t -63.88 -39.94 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.241 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -67.05 -36.3 81.76 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.529 -0.732 . . . . 0.0 109.683 178.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.95 92.86 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.703 -0.623 . . . . 0.0 110.142 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' X' ' 7' ' ' VAL . 61.1 mt -60.08 -41.09 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.659 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -40.76 87.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.824 -0.548 . . . . 0.0 109.855 178.754 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 7.5 m -58.93 -42.7 90.33 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.815 -0.553 . . . . 0.0 109.837 179.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 41.6 m -62.69 -40.77 98.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.686 -0.634 . . . . 0.0 109.694 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.28 -42.79 99.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.659 -0.65 . . . . 0.0 109.695 179.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 60.1 m -55.94 -42.12 75.69 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.643 -0.661 . . . . 0.0 109.746 179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . 0.623 ' HA ' HD12 ' X' ' 19' ' ' LEU . 91.8 t -64.48 -43.85 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.651 -0.655 . . . . 0.0 109.567 179.157 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m -59.97 -39.49 85.83 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.533 -0.73 . . . . 0.0 109.947 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.76 -40.98 97.03 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.521 -0.737 . . . . 0.0 110.127 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' X' ' 16' ' ' VAL . 8.3 mt -56.37 -42.12 77.32 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . 0.516 HD12 ' O ' ' X' ' 16' ' ' VAL . 1.0 OUTLIER -65.84 -40.42 91.72 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.686 -0.634 . . . . 0.0 109.733 178.886 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -61.89 -44.35 96.98 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.418 -0.801 . . . . 0.0 110.085 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -39.59 86.85 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.625 -0.672 . . . . 0.0 109.889 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.03 -42.76 95.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.49 -0.756 . . . . 0.0 109.482 178.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -65.53 -40.41 92.9 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 109.399 178.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.72 -33.33 73.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.677 -0.639 . . . . 0.0 109.974 179.079 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -69.55 -32.75 71.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.496 -0.752 . . . . 0.0 110.108 179.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 26.0 mt -81.32 -45.4 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.44 -0.787 . . . . 0.0 110.596 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.504 2.243 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.695 -179.632 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 121.246 0.546 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' X' X ' 2' ' ' ASP . . . . . 0.62 ' HB3' ' HB3' ' X' ' 5' ' ' ALA . 0.7 OUTLIER -117.87 64.37 0.75 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.774 . . . . 0.0 110.312 -179.818 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' X' X ' 3' ' ' ALA . . . . . 0.462 ' O ' HG23 ' X' ' 7' ' ' VAL . . . -61.93 -43.2 99.34 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.419 -0.801 . . . . 0.0 110.073 179.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.74 92.82 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' X' ' 2' ' ' ASP . . . -64.34 -40.91 96.81 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.321 -0.862 . . . . 0.0 109.847 179.391 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -60.76 -36.34 78.68 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.459 -0.776 . . . . 0.0 109.489 178.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 7' ' ' VAL . . . . . 0.609 ' HA ' HD12 ' X' ' 10' ' ' ILE . 96.9 t -63.3 -39.57 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.341 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -68.45 -36.45 79.03 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.584 -0.698 . . . . 0.0 109.743 178.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.13 88.99 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.77 -0.581 . . . . 0.0 110.25 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' X' ' 7' ' ' VAL . 50.9 mt -60.66 -40.82 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.306 0.574 . . . . 0.0 109.914 178.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -60.52 -45.7 92.87 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.774 -0.579 . . . . 0.0 110.413 179.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 52.7 p -64.23 -35.12 79.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.447 -0.783 . . . . 0.0 109.837 179.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.518 -0.739 . . . . 0.0 109.686 179.209 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 15' ' ' THR . . . . . . . . . . . . . 16.7 m -57.6 -42.14 82.63 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.652 -0.655 . . . . 0.0 109.556 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 16' ' ' VAL . . . . . . . . . . . . . 87.5 t -64.79 -43.15 96.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.581 -0.699 . . . . 0.0 109.613 179.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.85 -39.34 88.76 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.458 -0.776 . . . . 0.0 109.898 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -39.63 93.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.463 -0.773 . . . . 0.0 109.879 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tt -58.62 -45.11 89.91 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.17 -39.7 89.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.737 -0.602 . . . . 0.0 109.664 178.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 21' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' X' ' 21' ' ' ARG . 9.3 mmm-85 -61.11 -38.26 85.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.612 -0.68 . . . . 0.0 109.863 179.509 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 mmt-85 -61.19 -43.06 99.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.52 -0.738 . . . . 0.0 109.405 179.182 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.42 -41.44 93.93 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.755 -0.591 . . . . 0.0 109.425 178.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 24' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -64.23 -41.53 96.96 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.626 -0.671 . . . . 0.0 110.01 179.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -37.5 77.84 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.816 179.293 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.32 -34.49 77.8 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.545 -0.722 . . . . 0.0 109.808 179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 27' ' ' ILE . . . . . . . . . . . . . 19.2 mt -83.08 -42.47 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.552 -0.717 . . . . 0.0 109.559 179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' X' X ' 28' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.76 -1.114 . . . . 0.0 110.135 179.794 . . . . . . . . 0 0 . 1 stop_ save_